Large nonadiabatic quantum molecular dynamics simulations on parallel computers (Q743328)
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scientific article; zbMATH DE number 6347232
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| English | Large nonadiabatic quantum molecular dynamics simulations on parallel computers |
scientific article; zbMATH DE number 6347232 |
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Large nonadiabatic quantum molecular dynamics simulations on parallel computers (English)
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24 September 2014
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nonadiabatic quantum molecular dynamics
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time-dependent density functional theory
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surface hopping
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parallel computing
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0.7484617829322815
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0.7369295358657837
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0.7081483602523804
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