Open seminar

Seminar & Events Detail

Lecture Title

"Theoretical and Computational Chemistry of Complex Systems"

Date

Thursday 18 July 2019 13:30 to 18:00

Place

IMS Research Building Room 201

Summary

program
13:30-13:40	Opening Address Masahiro Ehara (IMS, RCCS) Shigeyoshi Sakaki (Kyoto University) "Theoretical/computational Study and Complex System"
Chair: Michiko Atsumi (University of Oslo)
13:40-14:00	JiaJia Zheng (Kyoto University) "Gas Adsorption and Separation by Soft Metal-Organic Framework:Theoretical Insight"
14:00-14:30	Kenji Iida (IMS) "Massively Parallel Calculations for Photoexcited Electron Dynamics in Nanostructures"
14:30-15:00	Maxim Shishkin (Kyoto University) "DFT+U Method: Parameterization, Extensions and Applications"
15:00-15:20 Coffee Break & Photo
Chair: Masahiro Ehara (IMS, RCCS)
15:20-15:40	Masayuki Nakagaki (Kyoto University) "Photophysics of Transition Metal Complex in Crystal: Periodic-QM/MM Approach"
15:40-16:10	Minori Abe (Tokyo Metropolitan University) "Theoretical Calculations of Uranium Isotope Fractionation Caused by Bacteria"
16:10-16:40	Ryoichi Fukuda (Kyoto University) "Quantum Chemistry for Confined Molecular and Electronic Structures with XP PCM"
16:40-17:20	Erik Tellgren (University of Oslo) "Unifying Kinetic Energy Density and Current Density in Density-Functional Theory"
17:20-18:00	Discussion for Collaborations
18:00	Mixer

Contact

Masahiro, Ehara (Institute for Molecular Science)
E-mail: ehara_at_ims.ac.jp ("_at_"=@)
Tel: 0564-55-7461

Awards & Honors International collaboration