Bottom-Up Transient Time Models in Coarse-Graining Molecular Systems
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Publication:6088334
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
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)
Cites Work
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- Reconstructing free energy profiles from nonequilibrium relaxation trajectories
- Data-driven model reduction, Wiener projections, and the Koopman-Mori-Zwanzig formalism
- Data-driven molecular modeling with the generalized Langevin equation
- Coarse-grained modelling out of equilibrium
- Molecular dynamics. With deterministic and stochastic numerical methods
- Path-space variational inference for non-equilibrium coarse-grained systems
- Simulation and inference for stochastic differential equations. With R examples.
- Pathwise Sensitivity Analysis in Transient Regimes
- Stochastic Tools in Mathematics and Science
- Diffusion Maps, Reduction Coordinates, and Low Dimensional Representation of Stochastic Systems
- Data-driven parameterization of the generalized Langevin equation
- An observation-driven time-dependent basis for a reduced description of transient stochastic systems
- Stochastic Processes and Applications
- Transport, Collective Motion, and Brownian Motion
- Multiscale Methods
- Stochastic differential equations. An introduction with applications.
- LAMMPS -- a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
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