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The top documents tagged [classical molecular]
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(a short) CPMD tutorial Acknowledgments: This tutorial is partially based on that initially put together with Carme Rovira, Roger Rousseau, Axel Kohlmeyer
227 views
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PNNL April 2011 ogce
567 views
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Thesis
138 views
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Timothy C. Germann- Large-Scale Molecular Dynamics Simulations of Shock-Induced Plasticity, Phase Transformations, and Detonation
47 views
Technology
Algorithmic approach to computational biology using graphs
113 views
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Nonlocal Homogenization Theory of Structured Materials
49 views
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Ab-initio simulations of matter at extreme conditions: a window into the centers of planets Sandro Scandolo (ICTP, Trieste, Italy) Seminario Galileiano,
215 views
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1 Poisson-Boltzmann Molecular Dynamics: Theory and Algorithms Ray Luo Molecular Biology and Biochemistry University of California, Irvine
224 views
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LOGO Computational prediction on the interface structure of SiC(SiO 2 )-Cu(Cu 2 O) composites from first principles Adviser: Ray Zhang
217 views
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Objectives of this course - Presentation of basic knowledge about the computational methods of theoretical chemistry - In particular about their reliability,
218 views
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Computational Science for Energy Wanda Andreoni Centre de Calcul Atomique et Moleculaire (CECAM) Ecole Polytechnique Federale – Lausanne
217 views
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Materials Theory and Computation S. V. Khare 1.Department of Physics and Astronomy University of Toledo, Ohio 2. Department of Electrical Engineering and
217 views
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