#科大快讯# 【中国科大PWDFT和LRTDDFT团队在中科院“先导杯”并行计算应用大奖赛中斩获佳绩】8月26日,首届中科院先导杯并行计算应用大奖赛决赛圆满落幕,中国科学技术大学杨金龙院士课题组派出的PWDFT和LRTDDFT战队在胡伟研究员的指导下,在开放应用赛道分别获得一等奖和优胜奖。链接:O网页链接 û收藏 1 1 ñ...
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Rothlisberger, “Nonadiabatic molecular dynamics with solvent effects: A LR-TDDFT QM/MM study of ruthenium (II) tris (bipyridine) in water,” Chem. Phys. 391 , 101 (2011).I. Tavernelli, B.F.E. Curchod, U. Rothlisberger, Nonadiabatic molecular dynamics with solvent effects: a LR-TD...
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