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Ab initio molecular dynamics via the Car-Parrinello method: Basic ideas, theory and algorithms

Ab initio molecular dynamics via the Car-Parrinello method: Basic ideas, theory and algorithms. Mark E. Tuckerman Dept. of Chemistry and Courant Institute of Mathematical Sciences New York University, 100 Washington Sq. East New York, NY 10003. 1808:

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813 views • 35 slides

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208 views • 13 slides

Russian supply security - the versatile challenge

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178 views • 8 slides

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Energy profiles - PowerPoint PPT Presentation

Ab initio molecular dynamics via the Car-Parrinello method: Basic ideas, theory and algorithms

Russian supply security - the versatile challenge