| Speaker | Topic | PDF/Movie |
July 23, Mon. |
Giulia Galli |
First principle simulations of water in confined and compressed states |
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|
Francois Gygi |
Implementation of First-Principles Molecular Dynamics on Large-Scale Computers |
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July 24, Tue. |
Giulia Galli |
Quantum simulations of the structure and electronic peoperties of water |
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|
Tadashi Ogitsu |
First-principles studies of materials under extreme conditions |
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July 25, Wed. |
Ferdi Aryasetiawan |
Merging first-principles and model approaches |
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|
Hisazumi Akai |
Green's function method and its application to first-principles calculation of electric transport phenomena |
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July 30, Mon. |
Roberto Car |
Dipolar correlations in water from ab-initio MD |
N/A |
|
Annabella Selloni |
The surface science of TiO2: Insights from first-principles simulations |
N/A |
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July 31, Tue. |
Kieron Burke |
Fundamentals of TDDFT |
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|
John Dobson |
Dispersion (van der Waals) forces and Density Functional Theory |
N/A |
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August 6, Mon. |
Shinji Tsuneyuki |
Transcorrelated method: another possible way towards electronic structure calculation of solids |
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|
Roberto Car |
Theory and simulation of transport at the nanoscale |
N/A |
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August 7, Tue. |
Eberhard K.U. Gross |
Time-dependence in quantum transport through nanostructures |
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August 8, Wed. |
Andreas Savin |
Using wave functions and DFT |
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Kimihiko Hirao |
Molecular Theory for Large Systems |
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August 9, Thr. |
Kieron Burke |
Applications of TDDFT |
N/A |
|
Eberhard K.U. Gross |
TDDFT beyond the linear regime: Analysis and optimal control of electron dynamics |
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August 10, Thr. |
Eberhard K.U. Gross |
Degeneracies, orbital currents and non-collinear magnetism: How far can we get with current-density functional theory and orbital functionals |
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