Tuesday, March 4, 2014
2:30PM - 3:06PM
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J1.00001: Towards accurate density-functional treatment of non-covalent interactions in complex systems
Invited Speaker:
Erin Johnson
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Tuesday, March 4, 2014
3:06PM - 3:18PM
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J1.00002: Optimization of van der Waals Density Functionals using Data Projection onto Parameter Space (DPPS)
Michelle Fritz, Marivi Fernandez-Serra, Mike Gillan, Jose M. Soler
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Tuesday, March 4, 2014
3:18PM - 3:30PM
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J1.00003: Electronic Properties of Surfaces and Interfaces with Self-Consistent van der Waals Density Functional
Nicola Ferri, Robert A. DiStasio Jr., Roberto Car, Alexandre Tkatchenko, Matthias Scheffler
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Tuesday, March 4, 2014
3:30PM - 3:42PM
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J1.00004: Van der Waals Interactions: Beyond Energies
Alexandre Tkatchenko
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Tuesday, March 4, 2014
3:42PM - 4:18PM
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J1.00005: Recent Developments in Fragment-based Density Functional Theory
Invited Speaker:
Adam Wasserman
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Tuesday, March 4, 2014
4:18PM - 4:30PM
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J1.00006: Ab-initio Charge and Spin Dynamics in Solids using TDDFT
Peter Elliott, K Krieger, S Sharma, J.K Dewhurst, E.K.U Gross
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Tuesday, March 4, 2014
4:30PM - 4:42PM
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J1.00007: Ensemble treatment of fragments within a molecule leads to improved description of dissociation
Jonathan Nafziger, Adam Wasserman
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Tuesday, March 4, 2014
4:42PM - 4:54PM
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J1.00008: Practical methods in time-dependent density functional theory (TDDFT) at elevated temperatures
Rudolph Magyar, Luke Shulenburger, Andrew Baczewski
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Tuesday, March 4, 2014
4:54PM - 5:06PM
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J1.00009: Recovering the Integer Discontinuity of Density Functional Approximations
Martin Mosquera, Adam Wasserman
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Tuesday, March 4, 2014
5:06PM - 5:18PM
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J1.00010: Modeling long-range time-resolved charge-transfer within TDDFT: Insights from a 2-site lattice model
Johanna Fuks, Neepa Maitra
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Tuesday, March 4, 2014
5:18PM - 5:30PM
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J1.00011: Time-Resolved Dynamics in Exact TDDFT: Studies of Two-Electron Systems
Ernesto Sandoval, Johanna Fuks, Kai Luo, Neepa Maitra, Peter Elliott
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