Analysis of Transition State Theory Rates upon Spatial Coarse-Graining

DOI10.1137/140983963zbMath1329.82004arXiv1409.6245OpenAlexW1091875353MaRDI QIDQ3459640

Andrew Binder, Arthur F. Voter, Danny Perez, Mitchell Luskin

Publication date: 11 January 2016

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

Full work available at URL: https://arxiv.org/abs/1409.6245

zbMATH Keywords

molecular dynamicstransition ratesspatial multiscale

Mathematics Subject Classification ID

Related Items (1)

Distribution of cracks in a chain of atoms at low temperature

Cites Work

• Formulation and optimization of the energy-based blended quasicontinuum method
• Hyper-QC: An accelerated finite-temperature quasicontinuum method using hyperdynamics
• Theory-based benchmarking of the blended force-based quasicontinuum method
• Perturbation theory for linear operators.
• Effective dynamics using conditional expectations
• Atomistic-to-continuum coupling
• Error Analysis of Coarse‐Graining for Stochastic Lattice Dynamics
• Analysis of a prototypical multiscale method coupling atomistic and continuum mechanics
• Finite-temperature coarse-graining of one-dimensional models: mathematical analysis and computational approaches

This page was built for publication: Analysis of Transition State Theory Rates upon Spatial Coarse-Graining