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The top documents tagged [abinitio molecular dynamics]
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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.
225 views
Ab-initio molecular dynamics for high pressure Hydrogen
233 views
20536
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Quantum-ESPRESSO: The SCF Loop and Some Relevant Input Parameters Sandro Scandolo ICTP (most slides courtesy of Shobhana Narasimhan)
215 views
Scheduling Strategies for HPC as a Service (HPCaaS) for Bio-Science Applications Sep 2009 High Performance Interconnects for Distributed Computing (HPI-DC)
218 views