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Tuesday, 15 March 2022
Time Speaker Title Resources
13:30 to 13:45 -- Introductory session
13:45 to 14:00 Recorded talk (APS) (MLH) Self-organization of microtubules and motors drive large-scale intracellular flows in cells

Presenter: Reza Farhadifar (Simons Foundation)
Authors: Reza Farhadifar (Simons Foundation), Sayantan Dutta (Princeton University), Gokberk Kabacaoglu (Simons Foundation), Wen Lu (Northwestern University), Vladimir I Gelfand (Northwestern University), Stanislav Y Shvartsman (Princeton University, Simons Foundation), Michael J Shelley (Courant Inst. (NYU), Flatiron Inst. (SF))

Cytoplasmic streaming is essential for transporting and mixing nutrients, proteins, and organelles within large plant and animal cells. The large ~200um Drosophila oocyte has recently gained attention for experimental and theoretical studies of this phenomenon. We present a quantitative study of streaming in Drosophila oocytes that combines PI of 3D time-lapse movies, with biophysical modeling and simulation. We observe a diverse family of 3D vortical flows across different oocytes, which differ in position and orientation, and which last tens of minutes. We show that a model of cytoskeletal activity at the periphery, organized by its interaction with interior fluid, explains the observed streaming structures. The emerging picture sheds light on a class of intracellular flows in large cells and highlights the wealth of questions at the interface of geometry, active matter, and basic biology.

13:45 to 14:00 Ishita Shitut (IISc, India) (RLH) Real-Space Stochastic GW Calculations Benchmark on GW100

Stochastic implementation of GW is a linear scaling method, ideally suited for calculating quasi-particle energies of large systems. This approach uses the stochastic resolution of identity to represent Green’s function as a product of a randomly generated orbital at time zero and an evolved random orbital at a later time. It employs real time propagation of stochastic functions to obtain screened coulomb response function. The response function is efficiently stored using stochastic compression. We have implemented the stochastic GW method in real-space density functional theory code PARSEC. We have benchmarked our stochastic GW implementation on GW100 set against the results obtained from the NanoGW code [1]. We find that our results are in good agreement with the results obtained from the NanoGW code. [1] W. Gao, and J. Chelikowsky, J. Chem. Theory Comput. 15, 5299 (2019)

ACKNOWLEDGMENTS
M. J. acknowledges support through grant no. DST/NSM/RD HPC Applications/2021/23 from the National Supercomputing Mission of the Department of Science and Technology, India. H. R. K. acknowledges the Science and Engineering Research Board of the Department of Science and Technology, India for support under grant no. SB/DF/005/2017.

14:00 to 14:45 Recorded talk (APS) (MLH) Geometry and Genetics

The application of quantitative methods to biological problems faces the choice of how much detail to include and the generality of the conclusions. Both routine data analysis and airy pronouncements that have nothing to say about everything are to be avoided. The middle ground entails some use phenomenology, a well-used approach in both high and low energy physics. A sampling of examples will be presented from my work in the area of developmental biology, to give a flavor of what is possible. They include experiments in synthetic embryology where human stem cells are coaxed into making patterns and structures similar to real embyos, use of modern (ie post 1960) mathematics to enumerate categories of dynamical behaviors, and a bit of computational evolution to address the question of what pattern forming systems can be evolved by incremental changes.

14:00 to 14:15 Kartick Ramakrishnan (IISc, India) (RLH) Scalable real-space finite-element based DFT calculations: Application to energy materials

Ab initio material modelling using density functional theory (DFT) has provided critical insights into possible new chemical structures, thermodynamic and atomic properties, enabling the design of efficient energy storage materials. Further, high throughput DFT calculations have been instrumental in understanding the physical mechanisms that control the capacity, performance, safety, and longevity of energy storage devices. However, understanding certain nanoscale phenomena in these devices, that are inaccessible by experimental investigations, demand large scale DFT calculations with arbitrary boundary involving thousands of atoms. For example -- understanding energetics of non-stochiometric charged electrolyte surfaces, modelling electrode||electrolyte interfaces in presence of external electric field, predicting bonding information in large nano particles for screening hydrogen storage materials etc, all require computationally efficient, accurate DFT calculations scalable on evolving heterogeneous computing architectures. This requires a departure from conventionally used plane-wave (PW) or atomic orbital (AO) based codes, that restrict the simulation domains to periodic boundary conditions (PW) or lack a systematically convergent behaviour of basis sets (AO) and do not take the full advantage of existing heterogeneous parallel computing architectures. To this end, the recently proposed finite-element based methodologies for density functional theory (DFT-FE) addresses the above shortcomings, thereby providing a generic scalable computational framework to address challenging material modelling problems encountered in the design of energy storage devices.

In this talk, I will be first discussing few benchmarking studies of the existing DFT-FE framework to calculate formation energies of various battery electrolyte material. Furthermore, the implementation and the benchmarking of nudged elastic band, AIMD and projected finite- element orbital population analysisframework within the DFT-FE formalism will be discussed. Finally, I will conclude with outlining the plans for computational methodology development in the DFT-FE framework for addressing the aforementioned challenges, enabling the design of energy storage devices.

14:15 to 14:30 Abhishek Kumar Adak (JNCASR, India) (RLH) Insights from density functional theory into the formation and rotation of an enantiospecific assembly of molecular raffle wheels

We have performed a joint theoretical and experimental study of the assembly formed when BPP-COOH ( 2,6-bis(1H-pyrazol-1-yl)pyridine-4-carboxylic acid) is deposited on Ag(111). Three-fourths of the molecules form a rigid Kagome 'host' network. The cavities of this network are occupied by the remaining 'guest' molecules, which display a punctuated rotation between positions corresponding to global minima in the rotational energy landscape. Calculations show that the topography of this landscape can be explained by the making and breaking of hydrogen bonds between the guest molecules and the host network. The height of the rotational barrier computed theoretically is in excellent agreement with that extracted from temperature-dependent experiments. The host network also bestows enantiospecificity on the system, due to the twist between the host network and the underlying Ag(111) surface. ref. https://doi.org/10.1002/ange.202107708

14:30 to 14:45 Arka Bandyopadhyay (IISc, India) (RLH) Electrically switchable giant Berry curvature dipole in silicene, germanene and stanene

The anomalous Hall effect in time-reversal symmetry broken systems is underpinned by the concept of Berry curvature in band theory. However, recent experiments [1] reveal that the nonlinear Hall effect can be observed in non-magnetic systems without applying an external magnetic field [2]. The emergence of fascinating nonlinear Hall effect under time-reversal symmetric conditions can be well-explained in terms of non-vanishing Berry curvature dipole, i.e., the dipole moment of Berry curvature arising from inversion symmetry breaking [3, 4]. In this work [5], we have systematically availed realistic tight-binding models and symmetry analyses for the quantitative estimation of Berry curvature dipole. It has been observed that the combined effect of transverse electric field and strain leads to a giant Berry curvature dipole in the elemental buckled honeycomb lattices – silicene, germanene, and stanene [6]. In particular, the external electric field breaks the inversion symmetry of these systems, while strain helps to attain an asymmetrical distribution of Berry curvature of a single valley. Furthermore, the topology of the electronic wavefunction switches from the band inverted quantum spin Hall state to the normal insulating one at the gapless point. We have explored that this band gap closing at the critical electric field strength is accompanied by an enhanced Berry curvature and concomitantly a giant Berry curvature dipole at the Fermi level. Our results predict the occurrence of an electrically switchable nonlinear Hall effect in a new class of elemental systems that can be experimentally verified.
References:
1. Q. Ma, S.-Y. Xu, H. Shen, D. MacNeill, V. Fatemi, T.-R. Chang, A. M. M. Valdivia, S. Wu,
Z. Du, C.-H. Hsu, et al., Nature 565, 337 (2019).
2. Z. Du, H.-Z. Lu, and X. Xie, Nature Reviews Physics, 1 (2021).
3. I. Sodemann and L. Fu, Physical review letters 115, 216806 (2015).
4. N. B. Joseph and A. Narayan, Journal of Physics: Condensed Matter 33, 465001 (2021).
5. A. Bandyopadhyay, N. B. Joseph and Awadhesh Narayan (under review, 2021)
6. M. Ezawa, Journal of the Physical Society of Japan 84, 121003 (2015).

14:45 to 15:00 Recorded talk (APS) (MLH) Sensing and making sense of fluctuating cellular states

The self-organisation of cells into complex tissue relies on the tight regulation of cellular behavior. Typically, the regulation of cell decisions is attributed to pathways controlling the concentration of molecular species in response to intrinsic or extrinsic signals, such as in gene regulatory networks. Here, by contrast, we show in the paradigmatic example of cell death that cells manipulate how fluctuations propagate across spatial scales to regulate cellular behavior. Specifically, we find that the feedback between molecular and mesoscopic organelle fluctuations gives rise to a quasi-particle degree of freedom whose intriguing kinetic properties construct a kinetic low-pass filter of time- dependent concentrations of signaling molecules. This allows cells to distinguish
between fast fluctuations and slow, biologically relevant, changes in environmental signals. We demonstrate an order of magnitude effect of this phenomenon on the quality of the cell death decision and validate our predictions experimentally by dynamically perturbing the intrinsic apoptosis pathway. Our work reveals a new mechanism of cell fate decision making.

14:45 to 15:00 Reshma Devi (IISc, India) (RLH) Effect of Exchange-Correlation Functionals on the Estimation of Migration Barriers in Battery Materials

Facile ionic mobility within-host frameworks is crucial in designing high-energy-density batteries with high-power densities, where the migration barrier (Em) is the governing factor. This talk will discuss the accuracy and computational performance in calculated Em, against experimental data, of several exchange-correlation (XC) functionals, within the density functional theory-nudged elastic band framework of six different electrodes and three diverse solid electrolytes. The generalized gradient approximation (GGA), the strongly constrained and appropriately normed (SCAN), and their Hubbard U corrections, GGA+U and SCAN+U, are the important XC functionals considered. It is observed that SCAN tends to be more accurate than other frameworks, albeit with higher computational costs and convergence difficulties, while GGA is a feasible choice for ’quick’ and ’qualitative’ Em predictions. The sensitivity of Em on adding uniform background charge and/or the climbing image approximation in solid electrolytes and the Hubbard U correction in electrodes are also quantified. This benchmarking will thus aid in selecting the suitable XC functional for a given structure in future studies, thus enabling the discovery of novel ion-conducting electrodes and solid electrolytes via computational workflows.

15:00 to 15:15 Recorded talk (APS) (MLH) Mobile defects born from an energy cascade shape the locomotive behavior of a headless animal

The physics of behavior seeks simple descriptions of animal behavior. The field has advanced rapidly by using techniques in low dimensional dynamics distilled from computer vision. Yet, we still do not generally understand the rules which shape these emergent behavioral manifolds in the face of complicated neuro-construction --- even in the simplest of animals. In this work, we introduce a non-neuromuscular model system which is complex enough to teach us something new but also simple enough for us to understand. We discover manifolds underlying the governing dynamics shaped and stabilized by a physical mechanism: an active-elastic, inverse-energy cascade. We explore the formulation of the governing dynamics of a polarized active elastic sheet in terms of the normal modes of an elastic structure decorated by a polarized activity at every node. By incorporating a torque mediated coupling physics, we show that the power is pumped from the shortest length scale up to longer length scale modes via a combination of direct mode coupling and preferential dissipation of higher frequency modes. We use this result to motivate the study of organismal locomotion as an emergent simplicity governing organism-scale behavior. To master the low dimensional dynamics on this manifold, we present a zero-transients limit study of the dynamics of +1 or vortex like defects in the ciliary field (which is experimentally supported for small organisms). We show, experimentally, numerically and analytically that these defects arise from this energy cascade to generate long-lived, stable modes of locomotive behavior. Using a geometric model, we show how the defect undergoes unbinding. We extend this framework as a tool for studying larger organisms with non-circular shape and introduce local activity modulation for defect steering. We expect this work to inform the foundations of organismal control of distributed actuation without muscles or neurons.

15:00 to 15:15 Nimish Dwarkanath (JNCASR, India) (RLH) Ab initio molecular dynamics: a key to unravel microscopic phenomena in metal-organic framework solids

Density functional theory (DFT) based calculations are employed to study a variety of systems. In some cases, it is necessary to incorporate the finite temperature effects, and simple geometry optimizations, essentially 0 K calculations, do not suffice. I will introduce DFT-based ab initio molecular dynamics (AIMD) as a tool to study porous metal-organic framework (MOF) crystals with guest molecules based on our investigation. Summaries of the two research problems--(i) Recently reported halogenated MOFs1 showed the second step in CO2 adsorption isotherms at 195 K. Second isotherm step is typically exhibited by porous materials with large pores or those that swell upon adsorption resulting in significant lattice expansion; neither of them occurs in the halogenated MOF. The underlying microscopic cause for the second isotherm step was elucidated using AIMD simulations2. (ii) AIMD simulations revealed that the small pore channels of aluminium-based MOF (Al-NDC) spontaneously close, thus, guiding us to focus only on large pore channels for our further studies of guest molecules in the material3. Furthermore, AIMD simulation proved to be an indispensable tool in the above problems.

16:00 to 16:30 Recorded talk (APS) (RLH) ML to Accelerate Experimental Discovery
16:00 to 16:15 Mini Jose (IISc, India) (MLH) Optogenetic modulation of real-time nanoscale dynamics of HCN channels using photoactivated adenylyl cyclases

Adenosine 30,50-cyclic monophosphate (cAMP) is a key second messenger that activates several signal transduction pathways in eukaryotic cells. Alteration of basal levels of cAMP is known to activate protein kinases, regulate phosphodiesterases and modulate the activity of ion channels such as Hyper polarization-activated cyclic nucleotide gated channels (HCN). Recent advances in optogenetics have resulted in the availability of novel genetically encoded molecules with the capability to alter cytoplasmic profiles of cAMP with unprecedented spatial and temporal precision. Using single molecule based super-resolution microscopy and different optogenetic modulators of cellular cAMP in both live and fixed cells, we illustrate a novel paradigm to report alteration in nanoscale confinement of ectopically expressed HCN channels. We characterized the efficacy of cAMP generation using ensemble photoactivation of different optogenetic modulators. Then we demonstrate that local modulation of cAMP alters the exchange of membrane bound HCN channels with its nanoenvironment. Additionally, using high density single particle tracking in combination with both acute and chronic optogenetic elevation of cAMP in the cytoplasm, we show that HCN channels are confined to sub 100 nm sized functional domains on the plasma membrane. The nanoscale properties of these domains along with the exchange kinetics of HCN channels in and out of these molecular zones are altered upon temporal changes in the cytoplasmic cAMP. Using HCN2 point mutants and a truncated construct of HCN2 with altered sensitivity to cAMP, we confirmed these alterations in lateral organization of HCN2 to be specific to cAMP binding. Thus, combining these advanced non-invasive paradigms, we report a cAMP dependent ensemble and single particle behavior of HCN channels mediated by its cyclic nucleotide binding domain, opening innovative ways to dissect biochemical pathways at the nanoscale and real-time in living cells.

Reference
Tanwar et al, 2021, RSC. Chemical Biology
https://pubs.rsc.org/en/content/articlelanding/2021/cb/d0cb00124d#!

16:15 to 16:30 Premchand Rajeev (IISc, India) (MLH) Nanoscale segregation of synaptic scaffolding protein SAP97 follows first order phase transitions
16:30 to 16:45 Ayan Roychowdhury (NCBS, India) (MLH) Active Force Patterning in a Mixture of Contractile Stresslets

The diversity of molecular mechanotransducers, e.g., various forms of myosins, that act as force generators and sensors in cells and tissues, exhibit different levels of contractility and turnover and different cellular localisations. This results in a patterning of nonequilibrium forces within the cell which in turn drives cellular organisation. As a precursor of such active force patterning, here we study the spontaneous segregation of a mixture of contractile stresslets on an elastomer with strain dependent turnover. In contrast to conventional segregation driven by gradients in chemical potential, the spontaneous segregation observed here is driven by elastic stress dissipation. Further, unlike the usual dynamics of coarsening, the linearly segregated state evolves into well separated, singular configurations of contractile stresslets at late times. In addition, the dynamics reveals striking nonreciprocal features, such as travelling waves and a swap phase that breaks time translation. This active stress driven segregation coupled with preferential wetting to substrates has implications for the differential cellular localisations of the diverse myosin species.

16:30 to 16:45 Ashutosh Kumar Verma (IISc, India) (RLH) Combined First-Principles and Classical Modeling of hBN-Water Interfaces: How Surface Roughness and Defects Modulate Wettability and Friction

Hexagonal boron nitride (hBN), the inorganic analogue of graphene, is currently being explored for several applications, including membrane separation devices and sensors. In these applications, wettability and friction are crucial interfacial phenomena and understanding them is vital for designing devices for seawater desalination and osmotic power harvesting. In this regard, the water contact angle (WCA) and water slip length (WSL) are the fundamental properties measured in experimental investigations of hBN–water interfaces. Although, in reality, 2D materials contain defects such as vacancies and exposed edges, so far, studies have not considered the effect of defects on the WCA and WSL on hBN surfaces. In this talk, we discuss the wetting and frictional behavior of monolayer and bulk hBN with atomic-scale defects and roughness. To this end, first-principles density functional theory (DFT) and classical-mechanical molecular dynamics simulations are used to calculate the charge distribution inside the hBN nanosheets and to characterize wetting and frictional properties of hBN, respectively. We consider six different topologies of defects in hBN – the B, N, BN, B2N, and B3N vacancy defects, as well as exposed zigzag edges – and also study the effect of the defect concentration on the WCA and WSL to investigate more realistically the interfacial properties of defective hBN. We find that defects at a lower concentration of 0.082 nm-2 no longer affect the wetting properties of hBN surfaces, although they do affect the frictional properties of the surface. On the contrary, exposed edges have a significant effect on the WCA and WSL even at this lower concentration, leading to a notable drop in both quantities, and leading to excellent agreement with experimental data. In summary, monolayer roughness, but not defects, can explain the experimentally observed water contact angle of 66° measured on freshly cleaved, uncontaminated hBN. Not only that, monolayer roughness can explain the measured water slip length of ~1 nm on hBN. Overall, our results indicate the importance of considering realistic models of hBN nanosheets with defects and surface roughness in simulations of water purifcation and energy harvesting applications.

16:45 to 17:00 Mohammad Arsalan Ashraf (RRI, India) (MLH) Contractile force generation in membrane nano-tubes pulled from axonal shaft

Neurons while in the growth phase generate membrane nano-tubes, called filopodia, from their growth cone. Filopodia are highly dynamic structures generated by a polar assembly of bundled actin filaments, growth and retraction of filopodia in nerve growth-cone provides motility to neurons. They can sense chemical or mechanical cues and preferential formation of multiple filopodia in a given direction, guided by chemical or other gradients, can guide nerve growth-cone. Filopodia are shown to generate contractile force but the mechanism by which this pulling force is generated is not known.

Measuring force in membrane nano-tubes pulled from axonal shaft can help us understand the fiopodia dynamics. These artificially pulled membrane tethers show active load and fail behavior, when they are held for longer times, and it can serve as a model system to study the mechanism for filopodia force generation. We discuss the experiments of pulling membrane tethers from axonal shafts using optical tweezers, our experiments along with a suggested toy model give some insight into the microscopic details about how membrane nano-tubes might generate contractile force.

16:45 to 17:00 Raju Kumar Biswas (JNCASR, India) (RLH) Modeling Pseudo-ternary Phase of Ag2Se For Realization of n-type Thermoelectrics with High zT

Recent developments in the thermoelectric application of Ag2Se, which simultaneously shows high mobility and low thermal conductivity, are motivated by innovative thermoelectric theories. However, the relatively narrow bandgap prevents it from achieving a high thermoelectric figure of merit, zT, at room temperature. In this regard, the Rashba effect, spin-dependent band splitting, shows a new direction toward the enhancement of thermoelectric performance. Herein, we investigate the Rashba effect in Ag2Se, which originated mainly due to Te-doping, which provides a unique mechanism for tuning thermoelectric power factors. Additionally, the amorphous limit of lattice thermal conductivity can be achieved via the engineering of configurational entropy dominated by point defect scattering in the pseudo-ternary phase. Density functional theory calculations also reveal that sulfur atoms are locally off-centered, resulting in localized soft optical phonons coupled with acoustics phonons that reduce lattice thermal conductivity. Finally, a benchmark zT~2.1 at 400 K, originated from a combination of Rashba effect along with entropic effect, can provide a new area of research in the thermoelectrics domain. Since, Ag2Se, Ag2Se0.5Te0.5 have already been synthesized, we believe the phase Ag2Se0.5Te0.25S0.25 system will soon be realized experimentally.

References:
1. R. K. Biswas, and S. K. Pati, Modeling Pseudo-ternary Phase of Ag2Se For Realization of n-type Thermoelectrics with High zT (communicated in Appl. Phys. Lett.)
2. R. K. Biswas, and S. K. Pati, Exploring a Superlattice of SnO-PbO: A New Material for Thermoelectric Applications. ACS Appl. Energy Mater. 4, 2081 (2021).

17:00 to 17:15 Kishore Hari (IISc, India) (MLH) Patterns in complexity: teams of nodes in regulatory networks lead to a robust phenotypic landscape in Epithelial-Mesenchymal plasticity

Elucidating the principles of cellular decision-making is of fundamental importance. These decisions are often orchestrated by underlying regulatory networks. While we understand the dynamics of simple network motifs, how do large networks lead to a limited number of phenotypes, despite their complexity, remains largely elusive. Here, we investigate five different networks governing epithelial-mesenchymal plasticity and identified a latent design principle in their topology that limits their phenotypic repertoire – the presence of two “teams” of nodes engaging in a mutually inhibitory feedback loop, forming a toggle switch. These teams are specific to these networks and directly shape the phenotypic landscape and consequently the frequency and stability of terminal phenotypes vs. the intermediary ones. Our analysis reveals that network topology alone can contain information about phenotypic distributions it can lead to, thus obviating the need to simulate them. We unravel topological signatures that can drive the canalization of cell fates during diverse decision-making processes

17:00 to 17:15 Nikhilesh Maity (IISc, India) (RLH) Stacking-Order-Driven Optical Properties and Layer Parity Dependent Phonon Modes in ReS2

Two-dimensional (2D) transition metal dichalcogenides (TMDs) have drawn immense attention from the scientific community because of their spin, valley, optoelectronics, and catalytic applications, making them unique from their bulk counterparts. Recently, among all the TMDs, rhenium disulfide (ReS 2 ) has begun to attract much attention due to its extremely weak interlayer coupling strength and anisotropic properties. The weaker interlayer coupling strength leads to persisting the monolayer behavior of ReS 2 till its bulk phase and resilient its electronic and optical properties with applied external pressure. However, on the other hand, weaker interlayer coupling strength makes it challenging to determine the stacking order of multilayer or bulk structure of ReS 2 . Using first principles density functional theory (DFT) calculations, we have identified two distinct stacking orders (AA & AB) of bilayer ReS 2 , which correspond to two local energy minima of the potential energy surface, resolving the prevailing discrepancies in the literature. Further, we have revealed the stacking-order-driven differences in vibrational and optical properties of bilayer ReS 2 using density functional perturbation theory (DFPT) and GW-Bethe-Salpeter equation (BSE) simulations, respectively. In addition to weak interlayer coupling strength, another uniqueness of ReS 2 lies in its distorted 1T triclinic crystal structure where the additional d valence electrons of Re atoms form zigzag Re chains parallel to the b-axis, drastically reducing its symmetry and making its electronic and optical properties anisotropic. The low triclinic crystal symmetry and in-plane anisotropy in the structure make it challenging to resolve its absolute characteristics, like the origin of extra phonon modes Raman spectra beyond three layer of ReS 2 . We have demonstrated that the observed additional phonon modes are driven by unique layer-parity-dependent splitting of Eg 1 mode and inversion symmetry breaking. The findings underscore the stacking-order driven electronic, vibrational and optical properties of ReS 2 , mediate many seemingly contradictory results in the literature, and open up an opportunity to engineer electronic devices with new functionalities by manipulating the stacking order.

17:15 to 17:30 Anton Iyer (NCBS, India) (MLH) Predicting cancer cell population dynamics using single cell data

Isogenic cancer cells develop heterogeneity via a variety of factors like epigenetics, gene expression fluctuations, etc. These differences amongst genetically identical cells lead to divergent cell fate outcomes when subjected to drugs such as chemotherapies. It is well established that only a fraction of these cells die depending on the concentration of the drug administered, a phenomenon known as ‘fractional killing’. However, how this fractional killing effect translates to population growth dynamics of cancer cells is poorly understood.

Exponential growth models of cancer cell populations relate the net growth rate of a population to the single cell division and death times. Such models have been used widely in quantifying cell proliferation in response to drugs and have also been used to design improved clinical strategies for cancer treatment. With the improvement in single cell time-lapse imaging techniques, it has become possible to try and predict the population dynamics from single cell data. For U2OS cells proliferating in the absence of any drug, the deviations between theoretical predictions of growth rate and regression fits to the data could be minimized significantly provided the model incorporated a factor of synchronicity in cell age at time of seeding. Surprisingly however, the same theories failed to predict the observed growth rates after administration of the chemotherapeutic agent cisplatin. The underlying distributions of cell death and division times, inferred using a likelihood-based approach to account for competing fates, were found to vary insignificantly on increasing the concentration of the drug even though the net population growth dramatically changed. These surprising results could not be explained using the traditional theories connecting single cell data to population dynamics, revealing a lacuna in the current understanding of how drug resistant cancer cells contribute to cancer cell proliferation. My future work will focus on identifying other essential single cell parameters that are required for developing a quantitative understanding of the population dynamics of drug-treated cancer cells.

17:15 to 17:45 Nikhil Malviya (IISc, India) (RLH) Phonon transport in ultrahigh thermal conductivity materials beyond the relaxation time approximation

In electrical insulators, heat is carried by the quantized collective lattice vibrations called phonons. Resistance to heat flow in these materials is caused by phonon scattering processes. Thermal phonon transport in these materials is governed by the semi-classical Boltzmann Transport Equation (BTE). Solutions of the BTE are commonly derived assuming the validity of relaxation time approximation (RTA), where all phonon scattering events are assumed to be momentum-dissipative in nature. While the RTA-based BTE solution describes the heat flow in several materials reasonably well, it fails to capture the ultrahigh thermal conductivity and the exceptional phonon transport properties of materials like diamond and boron nitride. Here we present the solutions of the BTE without the RTA for phonon transport through these ultrahigh thermal conductivity materials, and demonstrate that accurately distinguishing momentum-conserving (Normal) and momentum-dissipative (Umklapp) scattering events in our formulation is crucial to correctly predict their thermal transport properties.

This work is supported by the DST-SERB Core Research Grant (CRG/2020/006166) and Prime Minister Research Fellowship (192002-2069).

17:30 to 17:45 Rajeswari Appadurai (IISc, India) (MLH) Simplified interpretation of complex biomolecular ensemble data using dimensionality reduction techniques: From unifying quality assessment to data-tailored application

In an era of data revolution, techniques to obtain simplified physical intuition from large complex datasets is equally essential as that of the generation of data in itself. Dimensionality reduction (DR) techniques are often employed to extract values from complex datasets and have found wide applications across several fields, in which our primary interest is in its application in protein conformational ensemble analyses. However, the kind of DR technique (among several linear and non-linear methods) appropriate for sensible data applications varies depending on the context of the data. In this work we implement a unifying quality assessment framework for evaluating various DR projections based on the mismatches and inaccuracies in both distance rankings and distance relations of the embedded points with respect to that in the original high dimensional space. We apply the framework on very long trajectories of fast folding proteins and intrinsically disordered proteins (IDP). We find that, the automated metrics data from our quality assessment framework correlates well with interpretations obtained using domain knowledge. While there is no general approach that fits for all trajectories, we see that the t-distributed stochastic neighbour embedding (TSNE) consistently performs well in terms of the rank-based metrics though preserving the distance relations is subjective to the hyper-parameter tuning. Indeed the method is designed to preserve the local structure than the global relations and thus can provide a very informative visualization of heterogeneity in the data. We show that how this particular aspect of TSNE can be exploited for clustering an IDP ensemble into distinct conformational sub-populations that further enlighten about their unique topological design and ligand binding abilities which are otherwise hard to obtain.

17:45 to 18:00 Rohit Kumar Rohj (IISc, India) (RLH) Reduction in band gap with retention of ferroelectricity through heterovalent codoping in BaTiO3
17:45 to 18:00 -- (MLH) Discussions
Wednesday, 16 March 2022
Time Speaker Title Resources
13:30 to 14:15 Recorded talk (APS) (MLH) Inside the canine mind
13:30 to 13:45 Saurabh Srivastava (RLH) Determination of topological edge quantum numbers of fractional quantum Hall phases

To determine the topological quantum numbers of fractional quantum Hall (FQH) states hosting counter-propagating (CP) downstream (Nd) and upstream (Nu) edge modes, it is pivotal to study quantized transport both in the presence and absence of edge mode equilibration. While reaching the non-equilibrated regime is challenging for charge transport, we target here the thermal Hall conductance GQ, which is purely governed by edge quantum numbers Nd and Nu. Our experimental setup is realized with a hBN encapsulated graphite gated monolayer graphene device. For temperatures up to 35mK, our measured GQ at nu = 2/3 and 3/5 (with CP modes) match the quantized values of non-equilibrated regime (Nd + Nu)k0T, where k0T is a quantum of GQ. With increasing temperature, GQ decreases and eventually takes the value of equilibrated regime |Nd - Nu|k0T. By contrast, at nu =1/3 and 2/5 (without CP modes), GQ remains robustly quantized at Ndk0T independent of the temperature. Thus, measuring the quantized values of GQ at two regimes, we determine the edge quantum numbers, which opens a new route for finding the topological order of exotic non-Abelian FQH states.

13:45 to 14:00 Bhaskar Ghawri (RLH) Breakdown of semiclassical description of thermoelectricity in near-magic angle twisted bilayer graphene.
14:00 to 14:15 Saisab Bhowmik (RLH) Broken symmetry states at half-integer band fillings in twisted bilayer graphene
14:15 to 14:30 Recorded talk (APS) (MLH) Symmetry breaking in tissue flow during early Drosophila morphogenesis
14:15 to 14:30 Akmal Hossain (RLH) Quantum Spin Liquid state in a 1D spin-1/2 Metal Organic Framework

A magnetic system is normally expected to show long range magnetic order at a temperature scale comparable to the interaction strength between the spins on different sites. Such magnetic orderings are suppressed with reduction in the dimensionality as determined by the spin-spin interactions between magnetic sites along the three different directions. Theoretically it is realized that 1D spin chain systems are ideal to host rich variety of quantum many body ground states depending on the type and strength of the exchange interactions. For example, a uniform spin-1/2 Heisenberg antiferromagnetic chain should show disordered Quantum Spin Liquid (QSL) like state at T = 0 K, with gapless excitations through the creation of spin-1/2 spinons in pair. However, in real materials, in most of the cases inevitable interactions between the 1D chains lead to 3-dimensional long range magnetic ordering. In this work, we investigated low temperature magnetic properties of a 1D spin-1/2 chain system: A copper based Metal Organic Framework (MOF), which shows no signs of ordering and an interesting QSL like state down to 270 mK with indications of gapless excitations as evident from the thermodynamic measurements as well as muon spin relaxation (μSR) experiments.

14:30 to 14:45 Recorded talk (APS) (MLH) S-I-R and Disease Spreading in Active Matter Models
14:30 to 14:45 Premakumar Yanda (RLH) Elliptical cycloidal phase and spin driven multiferroicity in green phase Gd 2 BaCuO 5

Single phase multiferroics are interesting because they exhibit a strong coupling between ferroelectricity and magnetism because the ferroelectric ordering is induced by magnetic ordering. Such materials are important due to their potential for applications in spintronic devices. I will be presenting the ferroelectricity induced by polar incommensurate and commensurate spin orders in the well-known green phase compound Gd 2 BaCuO 5 , which crystallizes in a centrosymmetric orthorhombic structure (Pnma). This compound undergoes a long-range antiferromagnetic ordering at = 11.8 K, where both Gd 3+ and Cu 2+ spins order in an elliptical cycloidal configuration with magnetic super space group P2 1 ma1'(0,0,g)0s0s associated to incommensurate modulation vector (0, 0, g), which is accompanied by the emergence of ferroelectric polarization. With decreasing temperature, it undergoes a lock-in transition at ~ 6 K, below which the magnetic structure becomes commensurate with k c = (0, 0, ½) and strongly noncollinear, which causes an additional contribution to the electric polarization resulting from the polar magnetic space group (P a ca2 1 ). Based on the symmetry analysis of magnetoelectric interactions, I discuss that the ferroelectricity in both commensurate and incommensurate phases is driven by a complex interplay of two spins and single-spin contributions from magnetic ions located in noncentrosymmetric environments.

References
[1] P. Yanda, I. V Golosovsky, I. Mirebeau, N. V Ter-Oganessian, J. Rodríguez-Carvajal, and A. Sundaresan, Phys. Rev. Res. 2, 23271 (2020).

14:45 to 15:00 Recorded talk (APS) (MLH) Collective curvature sensing and fluidity in three-dimentional multicellular systems
15:15 to 15:30 Saheli Dey (NCBS, India) (MLH) Looking through the wormhole: Nematode motility in semi-solid materials

Nematode behavior is extensively explored and understood by studying them on soft 2D surfaces or inside homogeneous liquid media. However, in their natural habitat, many nematodes navigate a much complex three-dimensional self-healing environment such as soft soil, rotten fruit, and plant stem. Maintaining and exploring nematodes directly in such self- healing environments is critical for understanding their behavior in most natural settings. Hence, to mimic the natural habitat of nematodes, we have designed a transparent, self-healing soil-like material from jammed granular microgel systems. The transparent nature of this platform enables direct visualization of nematodes whereas self-healing nature allows them to move in 3D. Using the canonical example of model C. elegans, we investigate how they navigate through the jammed microgel system. Further, we explore how the stiffness of their microenvironment affects their locomotion. Together, our results will present an approach to maintain and image nematodes in 3D and harvest them from this medium for further processing. Preliminary data will be presented.

15:30 to 16:00 Debayan Dasgupta (IISc, India) (MLH) Applications of nanorobots in probing cancer microenvironment
15:45 to 16:00 Sushmita Chandra (RLH) Modulation of Electronic Structure and Thermoelectric Properties of Orthorhombic and Cubic SnSe by AgBiSe2 Alloying

Recently, single crystals of tin selenide (SnSe) have drawn immense attention in the field of thermoelectrics owing to its anisotropic layered crystal structure and ultra-low lattice thermal conductivity. Layered SnSe attains an orthorhombic crystal structure (Pnma) at ambient conditions. However, the cubic rock-salt phase (Fm-3m) of SnSe can only be stabilized at very high pressure and thus experimental realization of the cubic phase remains elusive. Herein, we have successfully stabilized the high-pressure cubic rock-salt phase of SnSe by alloying with AgBiSe2 (0.30 ≤ x ≤ 0.80) at ambient temperature and pressure. Orthorhombic polycrystalline phase is stable in (SnSe)1-x(AgBiSe2)x for composition range of 0.00 ≤ x < 0.28 and these are measured to be narrow band gap semiconductors, whereas the band gap closes upon increasing the concentration of AgBiSe2 (0.30 ≤ x < 0.70) with the cubic rock-salt structure. We confirm stabilization of cubic structure at x = 0.30 and associated changes in electronic structure using first-principles theoretical calculations. Pristine cubic SnSe exhibits topological crystalline insulator (TCI) quantum phase, but the cubic (SnSe)1-x(AgBiSe2)x (x = 0.33) possesses semi-metallic electronic structure with overlapping conduction and valence bands. Cubic polycrystalline (SnSe)1-x(AgBiSe2)x (x = 0.30) sample shows n-type conduction at room temperature while the orthorhombic (SnSe)1-x(AgBiSe2)x (0.00 ≤ x < 0.28) samples retain its p-type character. Thus, by optimizing the electronic structure and the thermoelectric properties of polycrystalline SnSe, a high zT of 1.3 at 823 K has been achieved in (SnSe)0.78(AgBiSe2)0.22.

16:00 to 16:15 -- (RLH) Discussions
16:00 to 16:15 Sachin Kaushik (JNCASR, India) (MLH) Genetic Diversity in the changing environments

Although many experimental and theoretical studies on natural selection have been carried out in a constant environment, as natural environments typically vary in time, it is important to ask if and how the results of these investigations are affected by a changing environment. We study the properties of the conditional fixation time defined as the time to fixation of a new mutant that is destined to fix in a finite, randomly mating diploid population with intermediate dominance that is evolving in a periodically changing environment. It is known that in a static environment, the conditional mean fixation time of a co-dominant beneficial mutant is equal to that of a deleterious mutant with the same magnitude of selection coefficient. We find that this symmetry is not preserved, even when the environment is changing slowly. For an initially deleterious mutant under moderate and slowly varying selection, the fixation time differs substantially from that in a constant environment when the mutant is recessive. As fixation times are intimately related to the levels and patterns of genetic diversity, our results suggest that for beneficial sweeps, these quantities are only mildly affected by temporal variation in environment. In contrast, environmental change is likely to impact the patterns due to recessive deleterious sweeps strongly.

16:15 to 16:45 Recorded talk (APS) (RLH) Symmetry Breaking and Fractional Chern Insulators in Moire Flat Bands
16:15 to 16:30 Abhijith Krishnan (JNCASR, India) (MLH) Investigation of color coding, contrast adaptation and vision encoding mechanisms using a chick retina model

The retina is a thin piece of neural tissue in the eye which encodes the image falling on it as electrical impulses (spikes) that are sent to higher brain regions. Visual perception begins in the retina with circuits already discovered for colour discrimination, motion detection among others. Such encoded representation is possible across a wide range of light levels due to various adaptation process in the retina. The process that adjusts the sensitivity of the neurons to the incident light intensity is also based on the light-history. We study the responses of neurons (retinal ganglion cells) from the neonatal chick retina to time varying flicker light-stimuli using a multi-electrode array recording system. Many features of avian vision have not been documented. We address some of these issues with our measurements. Reverse correlation analysis was used to estimate the linear temporal filter of the response. The study identified neurons that exhibited colour-opponent responses [1], which manifested as antagonistic behaviour to blue and green colour stimuli. These observations and interpretations may be useful in developing a retinal prosthetic for vision related disorders.

[1] C. S. Deepak, Abhijith Krishnan, and K. S. Narayan. Temporal characteristics of chick retinal ganglion cell responses, effects of luminance, contrast and colour. Manuscript to be communicated.

16:30 to 16:45 Vivek Jadhav (IISc, India) (MLH) Randomness in the choice of neighbours promotes cohesion in mobile animal groups
16:45 to 17:00 Vemparala Bharadwaj (IISc, India) (MLH) An evolutionary paradigm favoring crosstalk between bacterial two component signaling systems
16:45 to 17:00 Recorded talk (APS) (RLH) New Venues for Unconventional and Topological 2D Superconductivity
17:00 to 18:00 -- (MLH) Discussions
Thursday, 17 March 2022
Time Speaker Title Resources
13:30 to 13:45 Divya Jaganathan (MLH) Inertial particle with memory in viscous flow

An inertial particle in a viscous flow moves according to the Maxey-Riley equation. Amongst the various hydrodynamic forces acting on the particle, a non-trivial force that emerges in the equation is the Basset-Boussinesq memory force which is a time-averaged quantity over the particle's entire past dynamics. We present an iterative, explicit time-integrator method to advect the particle without neglecting or approximating memory at a fixed computational cost per time-step. This will facilitate efficient long-time and multi-particle computational experiments through which one can answer whether history matters (and how) in particle clustering and distribution dynamics in canonical flows.

13:30 to 13:45 Sthitadhi Roy (RLH) Measurement-induced entanglement transitions for certain tensor networks

I will discuss how the competition between entangling unitary dynamics and disentangling projective measurements leads to a new kind of dynamical phase transition in terms of the quantum entanglement in certain tensor networks. Based on a mapping to a travelling wave equation, I will present some exact results for the transition in tree-tensor networks and all-to-all connected 2-local tensor networks.

13:45 to 14:00 Niloyendu Roy (MLH) Tuning the performance of a micrometer-sized Stirling engine through reservoir engineering

Heat engines encompassing a single optically confined colloid, serves as a simple yet excellent model system to study the features of heat-to-work conversion in a fluctuation-dominated regime. When operated between thermal baths, the average performance of these stochastic engines follow their macroscopic counterpart [1][2]. Most practical micro-machines, such as molecular motors, however, operate in complex environments where the effective noise has non-Gaussian statistics with exponential correlation. Although the combined effect of these non-thermal features have been proven to significantly enhance the work and efficiency of quasistatic stirling cycles operating between bacterial reservoirs [3], the nature of finite-time heat-to-work conversion in a non-thermal environment, still remained elusive since the individual effects of noise-correlation and statistics could not be decoupled and finite cycle times were inaccessible in experiments with live bacteria.

In this talk, I will show that with flickering light fields, how we are able to engineer reservoirs with desired non-Gaussianity without introducing any correlation. This enabled us to perform Stirling cycles with a laser-trapped colloid at various operating speeds between a hot memoryless non-Gaussian reservoir and a cold thermal/Gaussian one - a protocol that deviates minimally from the thermal case. We found that, solely, the non-Gaussian statistics facilitates irreversibility built-up with decreasing cycle duration. Finally I will demonstrate how by tuning only the nature of noise-statistics one can modulate the Curzon-Ahlborn profile and thus the mode of maximum power production of a meso-scale heat engine without compromising on efficiency [4].

References:
[1] Blickle, V., & Bechinger, C. (2012). Realization of a micrometre-sized stochastic heat engine. Nature Physics, 8(2), 143.
[2] Martínez, I. A., Roldán, É., Dinis, L., Petrov, D., Parrondo, J. M., & Rica, R. A. (2016). Brownian carnot engine. Nature physics, 12(1), 67.
[3] Krishnamurthy, S., Ghosh, S., Chatterji, D., Ganapathy, R., & Sood, A. K. (2016). A micrometre-sized heat engine operating between bacterial reservoirs. Nature Physics, 12(12), 1134.
[4] N. Roy, N. Leroux, A. K. Sood, and R. Ganapathy, Tuning the performance of a micrometer-sized Stirling engine through reservoir engineering, Nat. Commun. 12, 4927 (2021).

13:45 to 14:00 Surajit Bera (RLH) Renyi-entanglement entropy in Hubbard model within dynamical mean field theory

Quantum entanglement has emerged as an important characterization of the fundamental quantum mechanical nature of non-trivial many-body states. In this work, we discuss an implementation of a new path integral method [1] to compute entanglement in Hubbard model within dynamical mean field theory (DMFT) in one (1d) and two (2d) dimensions. The complicated boundary conditions in the usual replica path integral formulation of subsystem Renyi entropy is replaced by a time-dependent self-energy “kick” in this approach. We show that an integration over the strength of
the “kick” term can be utilized to efficiently extract the Renyi entanglement entropy for interacting fermions. Using this method we compute the second Renyi entropy as a function of subsystem size in the Hubbard model within DMFT for both metallic and Mott insulating phases. We explore the thermal entropy to entanglement crossover in the subsystem Renyi entropy in the correlated metallic phase. We show that the subsystem-size scaling of second Renyi entropy is well described by the crossover formula which interpolates between the volume-law thermal Renyi entropy and the universal boundary-law Renyi entanglement entropy with logarithmic violation, as predicted by conformal field theory.

[1] Arijit Haldar, Surajit Bera and Sumilan Banerjee, Renyi entanglement entropy of Fermi and non-Fermi liquids: Sachdev-Ye-Kitaev model and dynamical mean field theories, Phys. Rev. Research 2, 033505 (2020).

14:00 to 14:15 Soumi Ghosh (RLH) Scaling of Fock space propagator across many-body localization transition
14:00 to 14:15 Gouri Patil (MLH) Development of an all-magnetic active matter system

In the world of low Reynolds number, the role of inertia is entirely negligible, which has resulted in the evolution of novel swimming strategies adopted by the microorganisms to overcome the fluidic drag. Inspired by such techniques, we model magnetically actuated helical swimmers as active particles 1 . The activity and density of this artificial system can be tuned externally to better understand the evolution of collective behaviour like the swarming/flocking phenomena. In the past, helical swimmers were designed for reciprocal swimming with motility in the form of back-and-forth motion and unspecified directionality. This represents a zero-force, zero-torque active matter system with enhanced diffusion 2,3 . Here for the first time 4 , we break the time-reversal symmetry by engineering a suitable magnetic field aided by thermal fluctuations in the surrounding medium. We derive the inspiration from a system of Brownian ratchet to design an asymmetric time-varying potential in doing so. The swimmers can exhibit non-reciprocal swimming with enhanced diffusivities, with activity as a function of the frequency of the external field and a two-parameter space. The experimental results and numerical simulations are in excellent agreement, establishing an all-magnetic active matter.

References
[1] Mandal, P., Patil, G., Kakoty, H., &amp; Ghosh, A. (2018). Magnetic Active Matter Based on Helical Propulsion. Accounts of chemical research, 51(11), 2689-2698.
[2] Mandal, Pranay, and Ambarish Ghosh. &quot;Observation of enhanced diffusivity in magnetically powered reciprocal swimmers.&quot; Physical review letters 111.24 (2013):
248101
[3] Patil, G., &amp; Ghosh, A. (2021). Anomalous Behavior of Highly Active Helical Swimmers. Frontiers in Physics, 8, 656.
[4]Manuscript under preparation.

14:15 to 14:30 S J Kole (MLH) A tale of twisting columns

We formulate the hydrodynamics of active columnar phases, with two-dimensional translational order in the plane perpendicular to the columns and no elastic restoring force for relative sliding of the columns. Our predictions include: spontaneous chiral symmetry breaking through a helical instability of the columns; a spinning state of the helically buckled columns; and material transport along the columns through a viscous Archimedean screw mechanism if the columns are polar, i.e., up-down asymmetric. We further show that the polar phase provides a natural experimental setting to realise the odd elastic effects predicted for 2D solids.

14:15 to 14:45 -- (RLH) Question/Answers for the talks and Discussion session on Localisation and Many-body entanglement
14:30 to 14:45 Mahesh Bandi (MLH) Electrocharging face masks using corona discharge treatment.

We detail an experimental method to electrocharge N95 facepiece respirators and face masks (FMs) made from a variety of fabrics (including non-woven polymer and knitted cloth) using corona discharge treatment (CDT). We present practical designs to construct a CDT system from commonly available parts and detail calibrations performed on different fabrics to study their electrocharging characteristics. After confirming the post-CDT structural integrity of fabrics, measurements showed that all nonwoven polymer electret and only some knitted cloth fabrics are capable of charge retention. Whereas polymeric fabrics follow the well-known isothermal charging route, ion adsorption causes electrocharging in knitted cloth fabrics. Filtration tests demonstrate improved steady filtration efficiency in non-woven polymer electret filters. On the other hand, knitted cloth fabric filters capable of charge retention start with improved filtration efficiency which decays in time over up to 7 h depending on the fabric type, with filtration efficiency tracking the electric discharge. A rapid recharge for a few seconds ensures FM reuse over multiple cycles without degradation.

15:45 to 16:00 Pragnya Satapathy (MLH) Multiple and efficient pathways for anisotropic photoluminescence modulation in soft nanocomposites

Soft-nanocomposites comprising liquid crystals (LCs) are gaining significant interest in recent times and have become a hot topic of research owing to the complementarity of the properties of the constituents. The primary aim of the present work has been to employ such nanocomposites and investigate various aspects of photoluminescence (PL) and its modulation with the aim to fabricate switchable PL devices. A salient feature of these studies is a novel route of using the liquid crystalline orientational order to realize linear assemblies of the employed cesium lead halide perovskite (CsPbBr3) and gradient CdSeS quantum dots and generate temporal and spatial modulation of emission.

Quantum dots of full inorganic perovskites such as CsPbX3 (X = Cl, Br, I) are becoming popular due to their better stability, excellent photoelectric performance and high luminescence efficiency [1]. We have incorporated small amounts (2%) of CsPbBr3 QDs into a room temperature LC and found several novel features [2]. In the nematic medium, the QDs form linear self-assembly, whose direction is dictated and controlled by the nematic director. Transmission electron microscopy images show that there is an anisotropic arrangement even at the nanometre scale caused by surface interaction of the QDs at their body diagonal. Thin films of this unique and fascinating assembly exhibit attractive absorption and emission features, which include (i) retainment of the inherent high PL efficiency of QDs, and (ii) double PL anisotropy, the in-plane (X-Y) as well as out-of-plane directions (X-Z), where X denotes the director direction [3].

The gradient CdSeS QDs, on the other hand, address the issue of the trap states due to dangling bonds which are the prime cause of low quantum efficiency. When dispersed in LCs these nanocomposites have a non-existent anisotropy, but an imposed polymer network creates the linear assembly of QDs resulting in anisotropy of PL in addition to enhancing the base PL. Further, we have developed systems in which even a low magnitude (0.6 mW/cm2) actinic light results in a high (45%) PL modulation [4]. The formulated protocols being generic, hold promises for the development of light-switchable QD-based emissive displays and photonic devices.

References:
[1] D. Wang et al., Nanoscale, 8, 1565 (2016)
[2] P.Satapathy et al., Adv. Opt. Mat., 7, 1801408 (2019)
[3] P. Satapathy et al., Crystals. , 9, 378 (2019)
[4] P. Satapathy et al., Chem. Photo. Chem., 4, 413 (2020)

15:45 to 16:00 Basudeb Mondal (RLH) SU(4) Dirac fermions on honeycomb lattice

For SOC coupled systems with d^1 electronic configuration on a honeycomb lattice, it has been suggested Dirac fermions with a large SU(4) symmetry can emerge at low energies. In this talk, I shall describe our study of understanding different possible masses of these fermions and the resultant phases so obtained. Because of SOC, the symmetry transformation of the fermions are rather different from graphene.

16:00 to 16:15 Suman Dutta (MLH) Dynamics of jamming in persistent active matter

Jamming observed in biological systems has given much confidence to explore the microscopic onset of jamming, using the models of activity driven glasses. Such dense active matter, thus, has brought the complexity of active matter into the physics of glass, where self-propulsion forces at micro-scale dominate over the inter-particle interactions and the thermal fluctuations, suggesting a unique model to investigate the role of non-thermal fluctuations in manifesting dynamical arrest, unlike by mechanical means. In this work, we focus on the dynamics of jamming in the dense active matter of infinite persistence time using microscopic simulations. We analyse the transient dynamics when a dense active liquid approaches a force-balanced state upon decreasing self-propulsion magnitude. Our investigations reveal the presence of a three-step relaxation process by extracting the associated time scales that separate the qualitative behaviour in the different regimes.

16:00 to 16:15 Vinayak Kulkarni (RLH) Kondo effect in a non-Hermitian, symmetric Anderson model with Rashba spin-orbit coupling

The non-interacting and non-Hermitian, parity-time (PT)-symmetric Anderson model exhibits an exceptional point (EP) at a non-Hermitian coupling g = 1, which remains unrenormalized in the presence of interactions (Lourenco et al, Phys. Rev. B 98, 085126 (2018)), where the EP was shown to coincide with the quantum critical point (QCP) for Kondo destruction. In this work, we consider a quantum dot hybridizing with metallic leads having Rashba spin-orbit coupling (λ). We show that for a non-Hermitian hybridization, λ can renormalize the exceptional point even in the non-interacting case, stabilizing PT-symmetry beyond g = 1. Through exact diagonalization of a zero-bandwidth, three-site model, we show that the quantum critical point and the exceptional point bifurcate, with the critical point for Kondo destruction at gc = 1, and the exceptional coupling being gEP > 1 for all U 6= 0 and λ ≥ 0; λ 6= U/2. On the line λ = U/2, the critical point and the EP again coincide at gc = gEP = 1. The full model with finite bandwidth leads is investigated through the slave-boson approach, using which we show that, in the strong coupling regime, λ and interactions co-operate in strongly reducing the critical point associated with Kondo destruction, below the λ = 0 value.

Ref: https://doi.org/10.48550/arXiv.2201.00175

16:15 to 16:30 Shruti Iyengar (MLH) Sensing magnetic environments using combination probes in an optical tweezer

A non-magnetic microsphere optically trapped in a dilute suspension of nanoparticles shows an enhancement in the trap stiffness owing to directed motion of the nanoparticles towards the trap centre. This is due to the response of the surface charge present on the nanoparticles to the electric field gradient associated with the optical trap. An optically trapped microsphere in combination with magnetic nanoparticles can thereby be used as an effective probe to sense changes in magnetic environments due to the ability of these nanoparticles to respond to such changes. In this talk I will present experimental proof of the response of this combination probe to changes in the environment like presence of external magnetic fields and field gradients as well as magnetic microbeads in the suspension and their agglomerated structures.

16:15 to 16:30 Suman Jyoti De (RLH) Emergence of spin-active channels at a quantum Hall interface

We study the ground state of a system with an interface between ν = 4 and ν = 3 in the quantum Hall regime. Far from the interface, for a range of interaction strengths, the ν = 3 region is fully polarized but ν = 4 region is unpolarized. Upon varying the strength of the interactions and the width of the interface, the system chooses one of two distinct edge/interface phases. In phase A, stabilized for wide interfaces, spin is a good quantum number, and there are no gapless long-wavelength spin fluctuations. In phase B, stabilized for narrow interfaces, spin symmetry is spontaneously broken at the Hartree-Fock level. Going beyond Hartree-Fock, we argue that phase B is distinguished by the emergence of gapless long-wavelength spin excitations bound to the interface, which can be detected by a measurement of the relaxation time T2 in nuclear magnetic resonance.

16:30 to 16:45 Raushan Kant (MLH) Self-trapping and interfaces in active 2 granular matter

Abstract We report unexpected states of organization in experiments and simulations on mixtures of motile fore-aft asymmetric rods and spherical beads. We show in experiments that in a suitably engineered channel geometry, two small groups of rods segregate themselves and immobilise a large collection of beads by pinning it from opposite ends. The system achieves a phase-separated state of bead-rich and bead-poor regions with an interface decorated by rods pointing towards the bead-rich region. In 2D experiments, we observe a similar interface formation of rods that gives a phase-separated state of beads with different densities.

16:30 to 16:45 Subhro Bhattacharjee Physics of Kagome Metals
16:45 to 17:00 -- (RLH) Question/Answer sessions for the talks and Discussion session for interplay of spin-orbit coupling and correlations.
16:45 to 17:00 Sachidananda Barik (MLH) Origin of two distinct stress relaxation regimes in shear jammed dense suspensions

Many dense particulate suspensions show a stress induced transformation from a liquid-like state to a solid-like shear jammed (SJ) state. However, the underlying particle-scale dynamics leading to such striking, reversible transition of the bulk remains unknown. Here, we study transient stress relaxation behaviour of SJ states formed by a well-characterized dense suspension under a step strain perturbation. We observe a strongly non-exponential relaxation that develops a sharp discontinuous stress drop at short time for high enough peak-stress values. High resolution boundary imaging and normal stress measurements confirm that such stress discontinuity originates from the localized plastic events, whereas, system spanning dilation controls the slower relaxation process. Furthermore, we find that the peak-stress in the system establishes an intriguing correlation between the nature of transient relaxation and the steady state shear jamming phase diagram obtained from the Wyart-Cates Model.

17:00 to 17:40 Correlated topological phases in moire graphene systems by Senthil Todadri (RLH) Recorded Talk (APS)
17:00 to 17:15 Palak (MLH) Pattern selection in radial displacements of a confined aging viscoelastic fluid

Intricate fluid displacement patterns, arising from the unstable growth of interfacial perturbations, can be driven by fluid viscoelasticity and surface tension. In my talk, I will highlight various experimental approaches that we have used to control interfacial instabilities between a Newtonian and an aging viscoelastic fluid. A soft glassy suspension ages, i.e. its mechanical moduli evolve with time, due to the spontaneous formation of suspension microstructures. I will discuss how the shear and time-dependent rheology of an aging suspension can be exploited to generate a wide variety of interfacial patterns during its displacement by a Newtonian fluid. I will show a rich array of interfacial pattern morphologies: dense viscous, dendritic, viscoelastic fracture, flower-shaped, jagged, that are formed due to the miscible and immiscible displacements of an aging colloidal clay suspension by Newtonian fluids injected into a radial quasi-two-dimensional geometry. I will show how we can generate the same sequence of pattern morphologies by appropriately changing the displacing fluid flow rate, while keeping the age of the displaced suspension fixed. Finally, I will present a new parameter, the areal ratio, which we can employ to uniquely identify and segregate the observed pattern morphologies in a three-dimensional phase diagram spanned by the suspension aging time, the displacing fluid flow rate, and interfacial tension. Besides being of fundamental interest, our results are useful in predicting and controlling the growth of interfaces during fluid displacements.

17:15 to 17:30 Manoj Kumar (MLH) Self-organized dynamics of freely-jointed active droplet chains

We investigate the dynamics of freely-joined active droplet chains, which emerge as a dynamic interplay between the active droplets' self-generated chemical and hydrodynamic fields. The slip velocity of an individual droplet microswimmer can be explicitly controlled by modulating the external surfactant medium that fuels the droplet motion. This tuning of the slip velocity results in a modification of self-generated chemical and hydrodynamic flow fields of the droplet swimmer. We posit that freely-jointed super-structures, such as chains, of the active droplets can result in emergent spatio-temporal dynamics. We then demonstrate emergent complex dynamics of the active chains, such as periodic oscillatory motion from the resultant dynamical interplay between the chemical and hydrodynamic flow fields.

17:30 to 17:45 Jayeeta Chattopadhyay (MLH) Inducing liquid-crystal and crystalline order by increasing temperature in two-temperature active-rod fluid

We study the scalar activity induced phase separation and liquid crystal ordering in a system of soft repulsive spherocylinders (SRSs) of various aspect ratios (L/D) using molecular dynamics (MD) simulation. Activity was introduced by increasing the temperature of half of the SRS (labeled ‘hot’) while maintaining the temperature of the other half constant at a lower value (labeled ‘cold’). The difference between the two temperatures scaled by the lower temperature provides a measure of the activity. For L/D = 5, activity drives the system into nematic (N) order for a packing fraction which in equilibrium will show isotropic (I) phase. Similarly, a nematic (N) initial configuration shows smectic (Sm) and crystalline (K) order at a critical activity. We find that hot particles occupy a larger volume and exert an extra kinetic pressure that makes cold particles ordered and undergoing isotropic-nematic (I-N) transition. Interestingly we observe phase separation and ordered liquid crystal phases (nematic, smectic) below Onsager's limit.

J. Chattopadhyay, S. Pannir-Sivajothi, K. Varma, S. Ra-maswamy, C. Dasgupta, and P. K. Maiti, Phys. Rev. E104, 054610 (2021).

17:45 to 18:00 -- (MLH) Discussions
Friday, 18 March 2022
Time Speaker Title Resources
13:30 to 14:05 Recorded talk of APS (MLH) Experimental tests of generalized hydrodynamics
14:10 to 14:45 Recorded talk of APS (MLH) Hydrodynamics of polarized crowds
15:45 to 16:00 Nisarg Bhatt (MLH) Perturbation spreading in a non-reciprocal classical isotropic magnet
16:00 to 16:15 Santhosh Ganapa (MLH) Thermalization and Chaos in the \alpha-Fermi Pasta Ulam Tsingou chain

Most studies on the problem of equilibration of the Fermi–Pasta–Ulam–Tsingou (FPUT) system have focused on equipartition of energy being attained amongst the normal modes of the corresponding harmonic system. In the present work, we instead discuss the equilibration problem in terms of local variables, and consider initial conditions corresponding to spatially localized energy. We estimate the time-scales for equipartition of space localized degrees of freedom and find significant differences with the times scales observed for normal modes. Measuring thermalization in classical systems necessarily requires some averaging, and this could involve one over initial conditions or over time or spatial averaging. Here we consider averaging over initial conditions chosen from a narrow distribution in phase space. We examine in detail the effect of the width of the initial phase space distribution, and of integrability and chaos, on the time scales for thermalization. We show how thermalization properties of the system, quantified by its equilibration time, defined in this work, can be related to chaos, given by the maximal Lyapunov exponent. Somewhat surprisingly we also find that the ensemble averaging can lead to thermalization of the integrable Toda chain, though on much longer time scales.

16:15 to 16:30 Jitendra Kethepalli (MLH) Macroscopic description of Integrable models in confining traps.
16:30 to 16:45 Siddhartha Mukherjee (MLH) Lagrangian anomalies abounding in Active Turbulence

Active suspensions, like bacterial swarms, can self-organize into complex dynamical states like active turbulence – flows that are vortical, chaotic and multi-scale, reminiscent of inertial turbulence. Using a generalized hydrodynamics model of ``active fluids", we show how superdiffusion via Lévy walks can masquerade as a crossover from ballistic to diffusive scaling in measurements of mean-squared-displacements. In fact, at high levels of activity, the flow manifests a variety of Lagrangian anomalies ranging from enhanced first-passage time distributions to pair-dispersion. A close inspection reveals that these anomalous statistics emerge due to flow regions marked by hitherto undetected oscillatory ``streaks'', which tend to persistently propel tracers. The flow is hence marked by a truly dynamical heterogeneity. While laying the theoretical framework for how activity drives living systems to defy bounds on inanimate matter, our work allows us to underline the essential differences between active and inertial turbulence.

16:45 to 17:00 Nadia Bihari Padhan (MLH) Activity-induced self-propulsion and self-deformation of a droplet

We study the motility induced phase separation (MIPS) in the presence of hydrodynamic interactions. The minority phase is confined, initially, in a circular droplet. Even with repulsive interactions, there is MIPS that is similar to phase separation in binary-fluid mixtures governed by the Cahn-Hilliard equations [1]. MIPS can be modelled by a single scalar order parameter ψ. To study the MIPS inside a droplet, we define two scalar order parameters, φ and ψ, to capture the droplet interface and another to capture the MIPS. The dynamics of φ is governed by the passive model H (or the Cahn-Hilliard-Navier-Stokes equations) and that of ψ by the active model H [2]. Our Direct Numerical Simulations(DNSs) of coupled active and passive models H (without thermal fluctuations) reveal that ψ, initially confined to a circular droplet, induces self-propulsion and self deformation, which we quantify via several statistical quantities. We also study the effect of the activity parameter and the surface tension on the droplet dynamics.

[1] G. Gonnella, D. Marenduzzo, A. Suma, and A. Tiribocchi, “Motility-induced phase separation and coarsening in active matter,” Comptes Rendus Physique, vol. 16, no. 3, pp. 316–331, 2015.

[2] A. Tiribocchi, R. Wittkowski, D. Marenduzzo, and M. E. Cates, “Active model h: scalar active matter in a momentum-conserving fluid,” Physical review letters, vol. 115, no. 18, p. 188302, 2015.

17:00 to 17:15 Dibyendu Roy (MLH) Spectral form factor in fermionic and bosonic models of many-body quantum chaos

I will discuss quantum chaos and spectral correlations in periodically driven (Floquet) fermionic and bosonic chains with long-range two-particle interactions in the presence and absence of particle-number conservation [U(1)] symmetry. For intermediate-range interactions, random phase approximation can be used to rewrite the spectral form factor in terms of a bi-stochastic many-body process generated by effective spin or boson Hamiltonians. In the particle-number conserving case, the effective Hamiltonians have non-abelian SU(2) and SU(1,1) symmetry, respectively for fermions and bosons, resulting in universal quadratic scaling of the Thouless time with the system size, irrespective of the particle number. In the absence of particle-number conservation, while we find a nontrivial systematic system-size dependence of the Thouless time for the bosonic model, it is independent of system size for kicked fermionic chains.

17:15 to 17:30 Prashant Singh (MLH) Fluctuations in a chain of active particles

I will present some results on the two-point correlation functions of the positions of tagged particles in a chain of active particles. My main focus will be to (i) compare and contrast these results for different models of active particles and (ii) highlight the differences from their passive counterparts.

17:30 to 17:45 Nalina Vadakkayil (MLH) Mpemba Effect in Ising Model

We investigate the kinetics of ferromagnetic ordering via Monte Carlo simulations of the nearest neighbour Ising model. We probe the relaxation of systems that are suddenly quenched from various initial temperatures in the paramagnetic region to state points inside the ferromagnetic region. It appears that for quenches to a fixed final temperature, a system from higher starting temperature shows the tendency of reaching the new equilibrium faster than that is prepared at a lower starting temperature. This is a surprizing observation that suggests the presence of Mpemba-like effect in the nonequilibrium dynamics of this model. We will present results to demonstrate certain systematic nature of the effect.

17:45 to 18:00 Varghese Babu (MLH) Criticality and marginal stability of shear driven jamming in frictionless sphere packings

We study the critical behavior of shear driven jamming numerically and compare with compressiondriven jamming in frictionless systems. Following recent studies on the criticality of compression driven jamming, and the  observation of shear jamming in deeply annealed frictionless sphere packings, we generate configurations close to the  shear jamming  transition. We calculate the exponents associated with the small force distribution and the inter-particle gap distribution. We find the exponents to be consistent with those found for compression driven jamming, which in turn matches with the prediction from the mean-field theory of hard-spheres.  This, along with our other results, suggests that compression driven jamming and shear jamming have the same critical behavior in frictionless systems.