Using a monomer potential energy surface to perform approximate path integral molecular dynamics simulation of ab initio water at near-zero added cost
2019 ◽
Vol 21
(1)
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pp. 409-417
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Keyword(s):
We present a new approximate method for doing path integral molecular dynamics simulation with density functional theory and show the utility of the method for liquid water.
2019 ◽
Vol 38
(14)
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pp. 4325-4335
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1999 ◽
Vol 111
(3)
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pp. 1117-1125
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2020 ◽
Vol 152
(2)
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pp. 024119
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2011 ◽
Vol 115
(42)
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pp. 11723-11733
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2014 ◽
Vol 26
(24)
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pp. 244108
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2016 ◽
Vol 120
(26)
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pp. 14277-14288
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