Monday, March 4, 2024
3:00PM - 3:36PM
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D39.00001: Simulating Attochemistry using Time-Dependent Density Functional Theory
Invited Speaker:
Kenneth Lopata
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Monday, March 4, 2024
3:36PM - 3:48PM
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D39.00002: Real time TDDFT study of electron induced chemical reactions in polymers
Xiuyao Lang, Roberto C Longo, Peter L Ventzek, Kyeongjae Cho
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Monday, March 4, 2024
3:48PM - 4:00PM
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D39.00003: Excitations and quasi-excitations in jellium, and excitations in quantum materials with linear response time dependent density functional theory
Adrienn Ruzsinszky
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Monday, March 4, 2024
4:00PM - 4:12PM
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D39.00004: Optic property calculations of 1T-TiSe2 under CDW transition
Hong Tang
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Monday, March 4, 2024
4:12PM - 4:24PM
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D39.00005: Implementation of Time-dependent Hartree-Fock in the real-space Octopus code
Uday Panta, David A Strubbe
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Monday, March 4, 2024
4:24PM - 4:36PM
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D39.00006: Development of constrained multicomponent time-dependent density functional theory for incorporation of nuclear quantum effects in electronic excited state calculations
Yiwen Wang, Yang Yang
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Monday, March 4, 2024
4:36PM - 4:48PM
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D39.00007: Photocatalytic water splitting from Koopmans spectral functionals: The case of $TiO_2$ polymorphs
Marija R Stojkovic, Edward Linscott, Nicola Marzari
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Monday, March 4, 2024
4:48PM - 5:24PM
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D39.00008: Adiabatic connections for exact and approximate thermal density functional theory
Invited Speaker:
Aurora Pribram-Jones
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Monday, March 4, 2024
5:24PM - 5:36PM
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D39.00009: Using the generalized thermal adiabatic connection to analyze and build exchange-correlation free energy approximations
Brittany P Harding, Zachary N Mauri, Vera Xie, Aurora Pribram-Jones
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Monday, March 4, 2024
5:36PM - 5:48PM
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D39.00010: Exchange-correlation energy from model Green's functions: A unified formalism for Green's functions using density functional theory
Steven Crisostomo, E.K.U. Gross, Kieron Burke
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Monday, March 4, 2024
5:48PM - 6:00PM
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D39.00011: Perturbative ensemble density functional theory applied to charge transfer excitations
Tim Gould, Leeor Kronik, Gil Amoyal
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