13 citations · 14 across the 4 of their papers we have counts for
4 papers
Scaling field-theoretic simulation for multi-component mixtures with neural operators
Emmit K. Pert, Clay H. Batton, Sherry Li +2
Multi-component polymer mixtures are ubiquitous in biological self-organization but are notoriously difficult to study computationally. Plagued by both slow single molecule relaxat…
Quantum Hardware-Enabled Molecular Dynamics via Transfer Learning
Abid Khan, Prateek Vaish, Yaoqi Pang +8
The ability to perform ab initio molecular dynamics simulations using potential energies calculated on quantum computers would allow virtually exact dynamics for chemical and bioch…
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…
Supervised Learning and the Finite-Temperature String Method for Computing Committor Functions and Reaction Rates
Muhammad R. Hasyim, Clay H. Batton, Kranthi K. Mandadapu
A central object in the computational studies of rare events is the committor function. Though costly to compute, the committor function encodes complete mechanistic information of…