Activation Energies from Transition Path Sampling Simulations

DOI10.1080/08927020412331294869MaRDI QIDQ4658895zbMATH OpenOpenAlexFDO

Authors Christoph Dellago, Peter G. Bolhuis

Publication date 21 March 2005

Published in Molecular Simulation (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1080/08927020412331294869

zbMATH Keywords

Activation energyChemical kineticsComputer simulationTransition path sampling

Mathematics Subject Classification ID

Chemical kinetics in thermodynamics and heat transfer (80A30)

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(8)

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• Computational Science - ICCS 2004
• Path sampling with stochastic dynamics: some new algorithms

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