3 papers
physics.chem-ph2025
Adversarial Training for Dynamics Matching in Coarse-Grained Models
Yihang Wang, Gregory A. Voth
Molecular dynamics (MD) simulations are essential for studying complex molecular systems, but their high computational cost limits scalability. Coarse-grained (CG) models reduce th…
physics.chem-ph2025
Coarse-Graining in Quantum Mechanics: Distinguishable and Indistinguishable Particles
Patrick G. Sahrmann, Gregory A. Voth
Bottom-up coarse-grained (CG) modeling expands the spatial and temporal scales of molecular simulation by seeking a reduced, thermodynamically consistent representation of an atomi…
physics.chem-ph2024
Understanding Dynamics in Coarse-Grained Models: V. Extension of Coarse-Grained Dynamics Theory to Non-Hard Sphere Systems
Jaehyeok Jin, Gregory A. Voth
Coarse-grained (CG) modeling has gained significant attention in recent years due to its wide applicability in enhancing the spatiotemporal scales of molecular simulations. While C…