Non-empirical weighted Langevin mechanics for the potential escape problem: parallel algorithm and application to the argon clusters

DOI10.1016/J.PHYSA.2019.121481OpenAlexW2904244548WikidataQ127864292 ScholiaQ127864292MaRDI QIDQ2161970

Ryosuke Akashi, Yuri S. Nagornov

Publication date: 5 August 2022

Published in: Physica A (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1812.06581

zbMATH Keywords

parallel implementationstochastic algorithmpotential surfaceargon clusterhyperdynamicsminimum-energy escape pathsnon-empirical schemereaction paths

Mathematics Subject Classification ID

Statistical mechanics, structure of matter (82-XX)

Cites Work

• Nonequilibrium Markov processes conditioned on large deviations
• Simulating rare events in dynamical processes
• Stochastic methods. A handbook for the natural and social sciences
• Generalized Trotter's formula and systematic approximants of exponential operators and inner derivations with applications to many-body problems
• The gentlest ascent dynamics
• Conditional brownian motion and the boundary limits of harmonic functions
• On the Product of Semi-Groups of Operators
• Variational and optimal control representations of conditioned and driven processes
• Efficient characterisation of large deviations using population dynamics

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