62 citations · 403 across the 25 of their papers we have counts for
4 papers · 1 filter
Thermodynamic Transferability in Coarse-Grained Force Fields using Graph Neural Networks
Emily Shinkle, Aleksandra Pachalieva, Riti Bahl +4
Coarse-graining is a molecular modeling technique in which an atomistic system is represented in a simplified fashion that retains the most significant system features that contrib…
The effect of temperature oscillations on energy storage rectification in harmonic systems
Renai Chen, Galen T. Craven
Rectification, the preferential transport of a current in one direction through a system, has garnered significant attention in molecules because of its importance for controlling…
Molecular heat transport across a time-periodic temperature gradient
Renai Chen, Tammie Gibson, Galen T. Craven
The time-periodic modulation of a temperature gradient can alter the heat transport properties of a physical system. Oscillating thermal gradients give rise to behaviors such as mo…
Optical and Transport Properties of Plasma Mixtures from Ab Initio Molecular Dynamics
Alexander J. White, Galen T. Craven, Vidushi Sharma +1
Predicting the charged particle transport properties of warm dense matter / hot dense plasma mixtures is a challenge for analytical models. High accuracy ab initio methods are more…