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