Symmetry-Driven Discovery of Dynamical Variables in Molecular SimulationsJeet MohapatraNima Dehmamyet al.2025ICML 2025
Neural Network Reparametrization for Accelerated Optimization in Molecular SimulationsNima DehmamyCsaba Bothet al.2024NeurIPS 2024
Hessian Reparametrization for Coarse-grained Energy MinimizationNima DehmamyCsaba Bothet al.2024ICLR 2024
Coarse-graining via reparametrization avoids force matching and back-mappingNima DehmamyCsaba Bothet al.2023NeurIPS 2023