Bottom-Up Transient Time Models in Coarse-Graining Molecular Systems

DOI10.1137/23m1548451arXiv2302.05159OpenAlexW4389392667MaRDI QIDQ6088334

Evangelia Kalligiannaki, Unnamed Author, Vagelis A. Harmandaris, Ivi C. Tsantili

Publication date: 13 December 2023

Published in: Multiscale Modeling & Simulation (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/2302.05159

zbMATH Keywords

molecular dynamicsLangevin dynamicscoarse-grainingpath-space inferencetransient time dynamics

Mathematics Subject Classification ID

Inference from stochastic processes and prediction (62M20) Stochastic methods (Fokker-Planck, Langevin, etc.) applied to problems in time-dependent statistical mechanics (82C31) Statistical thermodynamics (82B30) Computational molecular dynamics in statistical mechanics (82M37)

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