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The top documents tagged [carparrinello method]
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Workshop on HPC in India Chemical Dynamics in Aqueous Media Amalendu Chandra Department of Chemistry, Indian Institute of Technology Kanpur, India 208016
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Density Functional Theory 15.11.2006. A long way in 80 years L. de Broglie – Nature 112, 540 (1923). E. Schrodinger – 1925, …. Pauli exclusion Principle
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Ab initio molecular dynamics via the Car-Parrinello method: Basic ideas, theory and algorithms Mark E. Tuckerman Dept. of Chemistry and Courant Institute
213 views
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Bridging Time and Length Scales in Materials Science and Biophysics
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R. Martin - Density Functional Theory - Introduction - IPAM/UCLA - 9/20051 Bridging Time and Length Scales in Materials Science and Biophysics Institute
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Density Functional Theory
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Car-Parrinello Method and Applications Moumita Saharay Jawaharlal Nehru Center for Advanced Scientific Research, Chemistry and Physics of Materials Unit,
215 views