Thursday, March 9, 2023
3:00PM - 3:12PM
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W59.00001: Tensor-based approach to accelerate exact exchange calculations in DFT
Vishal Subramanian, Sambit Das, Vikram Gavini
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Thursday, March 9, 2023
3:12PM - 3:24PM
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W59.00002: Real-Space, Real-Time Approach to Quantum Electrodynamical Density Functional Theory
Justin M Malave, Alexander Ahrens, Daniel Pitagora, Cody Covington, Kalman Varga
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Thursday, March 9, 2023
3:24PM - 3:36PM
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W59.00003: Velocity-gauge real-time density functional tight-binding method for large-scale systems
Qiang Xu
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Thursday, March 9, 2023
3:36PM - 3:48PM
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W59.00004: Approximate range-separated DFT for the band structure of complex materials
Thomas A Niehaus, Thomas Frauenheim, Tammo von der Heide, Balint Aradi, Ben Hourahine
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Thursday, March 9, 2023
3:48PM - 4:00PM
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W59.00005: Density functional approximations on the Quantum spin Hall insulator 1T’-WTe2
Li Yin, Hong Tang, Adrienn Ruzsinszky
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Thursday, March 9, 2023
4:00PM - 4:12PM
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W59.00006: Finite difference interpolation for reduction of grid-related errors in Real Space Pseudopotential Density Functional Theory
Deena Roller, Olle Hellman, Leeor Kronik
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Thursday, March 9, 2023
4:12PM - 4:24PM
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W59.00007: Hybrid functionals for heterogenous materials
Jiawei Zhan, Marco Govoni, Giulia Galli
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Thursday, March 9, 2023
4:24PM - 4:36PM
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W59.00008: Noncollinear relativistic Hubbard parameters and DFT+U with ultrasoft pseudopotentials
Luca Binci, Nicola Marzari
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Thursday, March 9, 2023
4:36PM - 4:48PM
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W59.00009: Real-space methods for electronic structure calculations of 100,000 atoms and beyond
James R Chelikowsky, Mehmet Dogan, Kai-Hsin Liou
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Thursday, March 9, 2023
4:48PM - 5:00PM
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W59.00010: The quantum-classical boundary in pharma-relevant quantum chemistry calculations
Matthias Degroote, Joshua Goings, Alec F White, Joonho Lee, Christofer Tautermann, Craig M Gidney, Toru Shiozaki, Ryan Babbush, Nicholas C Rubin
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Thursday, March 9, 2023
5:00PM - 5:12PM
Author not Attending
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W59.00011: Snapshot-based detection of hidden off-diagonal long range order in fractional quantum hall states on lattices
Fabian J Pauw, Sebastian Paeckel, Felix A Palm, Annabelle Bohrdt, Fabian Grusdt
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Thursday, March 9, 2023
5:12PM - 5:24PM
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W59.00012: Midgap state requirements for optically active quantum defects
Geoffroy Hautier, Yihuang Xiong, Milena Mathew, Sinead M Griffin, Alp Sipahigil
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Thursday, March 9, 2023
5:24PM - 5:36PM
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W59.00013: Photoemission spectroscopy from the three-body Green's function
Arjan A Berger, gabriele riva, Pina Romaniello
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