36 citations · 45 across the 3 of their papers we have counts for
3 papers
Variational time reversal for free energy estimation in nonequilibrium steady states
Jorge L. Rosa-Raíces, David T. Limmer
Studying the structure of systems in nonequilibrium steady states necessitates tools that quantify population shifts and associated deformations of equilibrium free energy landscap…
A generalized class of strongly stable and dimension-free T-RPMD integrators
Jorge L. Rosa-Raíces, Jiace Sun, Nawaf Bou-Rabee +1
Recent work shows that strong stability and dimensionality freedom are essential for robust numerical integration of thermostatted ring-polymer molecular dynamics (T-RPMD) and path…
Path-accelerated molecular dynamics: Parallel-in-time integration using path integrals
Jorge L. Rosa-Raíces, Bin Zhang, Thomas F. Miller
Massively parallel computer architectures create new opportunities for the performance of long-timescale molecular dynamics (MD) simulations. Here, we introduce the path-accelerate…