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Theoretical chemistry accounts, v.135 no.12, 2016년, pp.254 -
Ghosh, Manik Kumer , Cho, Soo Gyeong , Choi, Tae Hoon , Choi, Cheol Ho
EDISON 유발 논문
계산과학플랫폼 EDISON을 활용하여 발표된 논문
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A priori density predictions of 32 molecules were attempted by combining the effective fragment potential version 2 (EFP2) and NPT molecular dynamics (MD) simulations. Our EFP2-MD procedure accurately predicted the density maximum of water as a function of temperature, showing its promising performa...
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