md2011-01-note 2

md2011-01-note 2 - Preliminary Lecture Topics 01...

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Preliminary Lecture Topics 01 Introduction to Atomistic Simulations 02 Basic Principles of MD 03 Solving the Equations of Motion 04 Pair potentials and Force calculation 05 Equilibrium Thermodynamics 06 Ab initio Molecular Dynamics Interaction Models 07 Potentials for Metallic Systems 08 Covalent Interaction Models 09 Potentials for Molecules, Molecular Mechanics, Force Fields, ReaxFF 10 Ionic Interactions 11 Energy Minimization (Conjugate Gradient, Evolutionary Algorithms) 12 Migration Energy Barrier Calculations (NEB) Notes
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Lecture 01: Introduction to Atomistic Simulations Notes
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O± ²³´ Iµ¶·¸²¹±º´ ·» A²·µ¼º I±²´¸¹º²¼·±½ Richard Feynman in Feynman Lectures on Physics “If in some cataclysm all scientific knowledge were to be destroyed and only one sentence passed on to the next generation of creatures, what statement would contain the most information in the fewest words? I believe it is the atomic hypothesis that all things are made of atoms – little particles that move around in perpetual motion, attracting each other when they are a little distance
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This note was uploaded on 02/14/2012 for the course CSE 6590 taught by Professor Kotakoski during the Winter '12 term at York University.

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md2011-01-note 2 - Preliminary Lecture Topics 01...

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