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• W4385819087 abstract "Molecular dynamics is often simulation-energy conserving but the quality of calculations is still unsatisfactory. It is more conducive to focus on evaluating and improving the theoretical best estimate of total-energy time evolution." @default.
• W4385819087 created "2023-08-15" @default.
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• W4385819087 date "2023-01-01" @default.
• W4385819087 modified "2023-09-24" @default.
• W4385819087 title "Energy-conserving molecular dynamics is not energy conserving" @default.
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• W4385819087 doi "https://doi.org/10.1039/d3cp03515h" @default.
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