Phase diagram calculation based on cluster expansion and Monte Carlo methods

Sep 07, 2013

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The Alloy Theoretic Automated Toolkit. Lattice geometry. Ab initio code parameters. Effective cluster interactions. Ground states. Thermodynamic properties. Phase diagrams. MAPS (MIT Ab initioPhase Stability Code)Cluster expansion construction. Ab initio code(e.g. VASP, Abinit). Emc2 (Easy Monte

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Phase diagram calculation based on cluster expansion and Monte Carlo methods

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INTRODUCTION TO MONTE CARLO METHODS

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Introduction to Monte Carlo Methods

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Chapter 5: Monte Carlo Methods

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Monte Carlo Methods

Monte Carlo Methods. When you can’t do the math, simulate the process with random numbers Numerical integration to get areas/volumes Particle physics Interactions (e.g., biological) in which the level of response is variable “Monte Carlo” as in throwing dice to determine outcomes.

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Monte Carlo Methods

Monte Carlo Methods. Mark A. Novotny Dept. of Physics and Astronomy Mississippi State U. man40@ra.msstate.edu. Random topics about random things for random people. Supported in part by NSF DMR0120310 and ITR/AP(MPS)0113049. Where is Monte Carlo?. Europe Principality of Monaco

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Monte Carlo Methods

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