The 78th JSAP Autumn Meeting, 2017

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Oral presentation

12 Organic Molecules and Bioelectronics » 12.6 Nanobiotechnology

[7p-A503-1~17] 12.6 Nanobiotechnology

Thu. Sep 7, 2017 1:45 PM - 6:45 PM A503 (503)

Atsushi Miura(Hokkaido Univ.), Yuhei Hayamizu(Titech), Kazuaki Furukawa(Meisei Univ.)

5:15 PM - 5:30 PM

[7p-A503-12] Nuclear Quantum Effects on Water: Comparison of the structure of light and heavy water by first principles path integral simulations

〇Koichiro Kato1, Masahiko Machida2, Motoyuki Shiga2 (1.Mizuho Information & Research Inst. Inc., 2.JAEA)

Keywords:water, ab initio molecular dynamics, nuclear quantum effect