Improvement of an advanced kinetic Monte Carlo algorithm through storing and recycling factorised transition matrices

The Kinetic Monte Carlo algorithm is a universal method to simulate the evolution of systems governed by a master equation. However, this approach is severely limited by the kinetic trapping of the simulated trajectories in low energy basins. To alleviate this issue, non-local transitions escaping t...

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Bibliographic Details
Main Author: Vanacker, Thomas
Format: Others
Language:English
Published: KTH, Skolan för elektroteknik och datavetenskap (EECS) 2018
Subjects:
Online Access:http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-239920

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