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Introduction to computational materials science : fundamentals to applications /
LeSar, Richard
2013
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Ab initio molecular dynamics : basic theory and advanced methods /
Marx, Dominik
2012
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IAS-9
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Hutter, Jürg
1
LeSar, Richard
1
Marx, Dominik
1
Subject
computer simulation
2
Monte Carlo method
1
ab initio calculation
1
materials science
1
molecular dynamics
1
molecular dynamics calculation
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CHO - Electronic structure of molecules, molecular orbitals, ligand field theory
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FANE - Computational solid state physics
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