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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Monte Carlo Methods

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Monte Carlo Methods

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