(a short) CPMD tutorial Acknowledgments: This tutorial is partially based on that initially put together with Carme Rovira, Roger Rousseau, Axel Kohlmeyer.
PNNL April 2011 ogce
Thesis
Timothy C. Germann- Large-Scale Molecular Dynamics Simulations of Shock-Induced Plasticity, Phase Transformations, and Detonation
Algorithmic approach to computational biology using graphs
Nonlocal Homogenization Theory of Structured Materials
Ab-initio simulations of matter at extreme conditions: a window into the centers of planets Sandro Scandolo (ICTP, Trieste, Italy) Seminario Galileiano,
1 Poisson-Boltzmann Molecular Dynamics: Theory and Algorithms Ray Luo Molecular Biology and Biochemistry University of California, Irvine.
Objectives of this course - Presentation of basic knowledge about the computational methods of theoretical chemistry - In particular about their reliability,
Computational Science for Energy Wanda Andreoni Centre de Calcul Atomique et Moleculaire (CECAM) Ecole Polytechnique Federale – Lausanne .
Materials Theory and Computation S. V. Khare 1.Department of Physics and Astronomy University of Toledo, Ohio 2. Department of Electrical Engineering and.
Week 1 Lecture 1: Introduction to cells and their contents. Proteins, polypeptide chains made from 20 amino acids. Paradigm shift in Molecular Biology.
