3 papers
cond-mat.soft2024
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…
physics.chem-ph2024
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…
cond-mat.soft2023
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…