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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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Dynamical dimer method for the determination of transition states with ab initio molecular dynamics

Alexander Poddey1, Peter E Blöchl

  • 1Institute of Theoretical Physics, Clausthal University of Technology, Leibnizstrasse 10, D-38678 Clausthal-Zellerfeld, Germany. alexander.poddey@tu-clausthal.de

The Journal of Chemical Physics
|February 6, 2008
PubMed

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