S-Space

Browse

Author

Showing results 1 to 5 of 5

Issue Date	Title / Author(s) / Citation	File
2019-02	Fast Overlap Evaluations for Nonadiabatic Molecular Dynamics Simulations: Applications to SF-TDDFT and TDDFT Lee, Seunghoon; Kim, Eunji; Lee, Sangyoub; Choi, Cheol Ho Journal of Chemical Theory and Computation, Vol.15 No.2, pp.882-891	DOI
2019-02	New method for constant- NPT molecular dynamics Kim, Minjung; Kim, Eunji; Lee, Seunghoon; Kim, Jun Soo; Lee, Sangyoub Journal of Physical Chemistry A, Vol.123 No.8, pp.1689-1699	DOI
2019-05	Efficient implementations of analytic energy gradient for mixed-reference spin-flip time-dependent density functional theory (MRSF-TDDFT) Lee, Seunghoon; Kim, Emma Eunji; Nakata, Hiroya; Lee, Sangyoub; Choi, Cheol Ho Journal of Chemical Physics, Vol.150 No.18, p. 184111	DOI
2019-06	Time-dependent electron transfer rate between geminate ions with strong Coulomb interaction and distance-dependent reactivity Kim, Minjung; Choi, Cheol Ho; Lee, Sangyoub Journal of Chemical Physics, Vol.150 No.21, p. 214104	DOI
2019-06	Transport dynamics of complex fluids Song, Sanggeun; Park, Seong Jun; Kim, Minjung; Kim, Jun Soo; Sung, Bong June; Lee, Sangyoub; Kim, Ji-Hyun; Sung, Jaeyoung Proceedings of the National Academy of Sciences of the United States of America, Vol.116 No.26, pp.12733-12742	DOI