activity
20192026
most citedVariational control forces for enhanced sampling of nonequilibrium molecular dynamics simulations

38 citations · 134 across the 10 of their papers we have counts for

collaborators

10 papers

physics.bio-ph2026

Navigation driven by bidirectional information transmission between sensing and actuation

Avishek Das, Pieter Rein ten Wolde

A wide variety of biological functions are driven by feedback between sensing and actuation. A paradigmatic example is cellular navigation. During navigation, the sensory system ma…

physics.chem-ph2025

Variational path sampling of rare dynamical events

Aditya N. Singh, Avishek Das, David T. Limmer

This article reviews the concepts and methods of variational path sampling. These methods allow computational studies of rare events in systems driven arbitrarily far from equilibr…

cond-mat.soft2024★ 2 cited

Enhancing nanoscale charged colloid crystallization near a metastable liquid binodal

Christian P. N. Tanner, Vivian R. K. Wall, Joshua Portner +17

Bottom-up assembly of nanocrystals (NCs) into ordered arrays, or superlattices (SLs), is a promising route to design materials with new functionalities, but the degree of control o…

cond-mat.mtrl-sci2024★ 2 cited

In situ coherent X-ray scattering reveals polycrystalline structure and discrete annealing events in strongly-coupled nanocrystal superlattices

Matthew J. Hurley, Christian P. N. Tanner, Joshua Portner +13

Solution-phase bottom up self-assembly of nanocrystals into superstructures such as ordered superlattices is an attractive strategy to generate functional materials of increasing c…

cond-mat.soft2023★ 6 cited

In situ X-ray scattering reveals coarsening rates of superlattices self-assembled from electrostatically stabilized metal nanocrystals depend non-monotonically on driving force

Christian P. N. Tanner, James K. Utterback, Joshua Portner +7

Self-assembly of colloidal nanocrystals (NCs) into superlattices (SLs) is an appealing strategy to design hierarchically organized materials with new functionalities. Mechanistic s…

cond-mat.soft2022★ 1 cited

Nonequilibrium design strategies for functional colloidal assemblies

Avishek Das, David T. Limmer

We use a nonequilibrium variational principle to optimize the steady-state, shear-induced interconversion of self-assembled nanoclusters of DNA-coated colloids. Employing this prin…

cond-mat.stat-mech2021★ 25 cited

Direct evaluation of rare events in active matter from variational path sampling

Avishek Das, Benjamin Kuznets-Speck, David T. Limmer

Active matter represents a broad class of systems that evolve far from equilibrium due to the local injection of energy. Like their passive analogues, transformations between disti…

cond-mat.stat-mech2021★ 36 cited

Reinforcement learning of rare diffusive dynamics

Avishek Das, Dominic C. Rose, Juan P. Garrahan +1

We present a method to probe rare molecular dynamics trajectories directly using reinforcement learning. We consider trajectories that are conditioned to transition between regions…

cond-mat.soft2020★ 24 cited

Variational design principles for nonequilibrium colloidal assembly

Avishek Das, David T. Limmer

Using large deviation theory and principles of stochastic optimal control, we show that rare molecular dynamics trajectories conditioned on assembling a specific target structure e…

cond-mat.stat-mech2019★ 38 cited

Variational control forces for enhanced sampling of nonequilibrium molecular dynamics simulations

Avishek Das, David T. Limmer

We introduce a variational algorithm to estimate the likelihood of a rare event within a nonequilibrium molecular dynamics simulation through the evaluation of an optimal control f…