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The top documents tagged [abinitio molecular dynamics]
(a short) CPMD tutorial Acknowledgments: This tutorial is partially based on that initially put together with Carme Rovira, Roger Rousseau, Axel Kohlmeyer
227 views
Ab-initio molecular dynamics for high pressure Hydrogen
238 views
20536
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Molecular Modeling of Structure and Dynamics in Fuel Cell Membranes A. Roudgar, Sudha N.P. and M.H. Eikerling Department of Chemistry, Simon Fraser University,
215 views
Quantum-ESPRESSO: The SCF Loop and Some Relevant Input Parameters Sandro Scandolo ICTP (most slides courtesy of Shobhana Narasimhan)
218 views
Scheduling Strategies for HPC as a Service (HPCaaS) for Bio-Science Applications Sep 2009 High Performance Interconnects for Distributed Computing (HPI-DC)
223 views