160 citations · 834 across the 51 of their papers we have counts for
6 papers · 1 filter
Statistical Spatially Inhomogeneous Diffusion Inference
Yinuo Ren, Yiping Lu, Lexing Ying +1
Inferring a diffusion equation from discretely-observed measurements is a statistical challenge of significant importance in a variety of fields, from single-molecule tracking in b…
Data-efficient generation of protein conformational ensembles with backbone-to-side chain transformers
Shriram Chennakesavalu, Grant M. Rotskoff
Excitement at the prospect of using data-driven generative models to sample configurational ensembles of biomolecular systems stems from the extraordinary success of these models o…
Microscopic origin of tunable assembly forces in chiral active environments
Clay H. Batton, Grant M. Rotskoff
The fluctuations of a nonequilibrium bath enable dynamics inaccessible to any equilibrium system. Exploiting the driven dynamics of active matter in order to do useful work has bec…
Computing equilibrium free energies through a nonequilibrium quench
Kangxin Liu, Grant M. Rotskoff, Eric Vanden-Eijnden +1
Many methods to accelerate sampling of molecular configurations are based on the idea that temperature can be used to accelerate rare transitions. These methods typically compute e…
Adaptive nonequilibrium design of actin-based metamaterials: fundamental and practical limits of control
Shriram Chennakesavalu, Sreekanth K. Manikandan, Frank Hu +1
The adaptive and surprising emergent properties of biological materials self-assembled in far-from-equilibrium environments serve as an inspiration for efforts to design nanomateri…
Remembering the work of Phillip L. Geissler: A coda to his scientific trajectory
Gregory R. Bowman, Stephen J. Cox, Christoph Dellago +19
Phillip L. Geissler made important contributions to the statistical mechanics of biological polymers, heterogeneous materials, and chemical dynamics in aqueous environments. He dev…