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physics.chem-ph2025★ 1 cited
A Bottom-Up Field-Theoretic Framework via Hierarchical Coarse-Graining: Generalized Mode Theory
Jaehyeok Jin, Yining Han, Gregory A. Voth
Multiscale simulations facilitate the efficient exploration of large spatiotemporal scales in chemical and physical systems, yet particle-based simulations become prohibitively exp…
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…