Slide 1(a short) CPMD tutorial Acknowledgments: This tutorial is partially based on that initially put together with Carme Rovira, Roger Rousseau, Axel Kohlmeyer and Alessandro…
LA-UR-01-3562 Approved for public release; distribution is unlimited. Title: LARGE-SCALE MOLECULAR DYNAMICS SIMULATIONS OF SHOCK-INDUCED PLASTICITY, PHASE TRANSFORMATIONS,…
Algorithmic approach to Computational Biology using Graphs Algorithmic approach to Computational Biology using Graphs What is Computational Biology? "Computational biology…
Slide 1Ab-initio simulations of matter at extreme conditions: a window into the centers of planets Sandro Scandolo (ICTP, Trieste, Italy) Seminario Galileiano, Pisa 29/04/2010…
Slide 1 1 Poisson-Boltzmann Molecular Dynamics: Theory and Algorithms Ray Luo Molecular Biology and Biochemistry University of California, Irvine Slide 2 2 Different levels…
Slide 1 LOGO www.themegallery.com Computational prediction on the interface structure of SiC(SiO 2 )-Cu(Cu 2 O) composites from first principles Adviser: Ray Zhang ( professor…
Slide 1 Objectives of this course - Presentation of basic knowledge about the computational methods of theoretical chemistry - In particular about their reliability, the…
Slide 1 Computational Science for Energy Wanda Andreoni Centre de Calcul Atomique et Moleculaire (CECAM) Ecole Polytechnique Federale – Lausanne www.cecam.org Trieste,…
Slide 1 Materials Theory and Computation S. V. Khare 1.Department of Physics and Astronomy University of Toledo, Ohio 2. Department of Electrical Engineering and Computer…