Friday, March 10, 2023
8:00AM - 8:12AM
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Y59.00001: Extracting Excited States Energies from a Density Functional Database.
Jose Gustavo Bravo Flores, Mark R Pederson, Koblar A Jackson, Kushantha Withanage, Alexander I Johnson
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Friday, March 10, 2023
8:12AM - 8:24AM
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Y59.00002: Symmetry-breaking origins of the high thermoelectric performance of Ge 1-xMnxTe alloys
Ferdaushi A Bipasha, Jesse M Adamczyk, Eric S Toberer, Elif Ertekin
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Friday, March 10, 2023
8:24AM - 8:36AM
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Y59.00003: Fermi surfaces from many body ground states: theory and application to PdCoO2
Jaron T Krogel, Abdulgani Annaberdiyev, Panchapakesan Ganesh
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Friday, March 10, 2023
8:36AM - 8:48AM
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Y59.00004: Optical and Electronic Properties of LiCoO2: Using multideterminant methods and quantum Monte Carlo to characterize a strongly correlated material
Kevin Gasperich, Hyeondeok Shin, Tomas Rojas Solorzano, Jaron T Krogel, Anh T Ngo, Anouar Benali
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Friday, March 10, 2023
8:48AM - 9:00AM
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Y59.00005: Surface Green function method for inhomogeneous multilayered systems
Hunter Sims, Eli Hellmig, Tom Berlijn
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Friday, March 10, 2023
9:00AM - 9:12AM
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Y59.00006: Band structures of 2D transition metal dichalcogenides from fully relativistic Dirac--Kohn--Sham theory using Gaussian-type orbitals
Marius Kadek, Baokai Wang, Marc Joosten, Wei-Chi Chiu, Francois Mairesse, Michal Repisky, Kenneth Ruud, Arun Bansil
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Friday, March 10, 2023
9:12AM - 9:24AM
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Y59.00007: Model selection in atomistic simulation
Jonathan E Moussa
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Friday, March 10, 2023
9:24AM - 9:36AM
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Y59.00008: The effect of strong light-matter interaction on single-molecular reactions
Robert L Smith, Fabijan Pavosevic, Angel Rubio
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Friday, March 10, 2023
9:36AM - 9:48AM
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Y59.00009: Band Gap Problem Caused by Widespread Errors in Calculations and not by Density Functional Theory (DFT)
YURIY MALOZOVSKY, Diola Bagayoko, Yacouba Issa Diakite
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Friday, March 10, 2023
9:48AM - 10:00AM
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Y59.00010: Hybrid Auxiliary Field Quantum Monte Carlo for molecular systems
Yixiao Chen, Linfeng Zhang, Weinan E, Roberto Car
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Friday, March 10, 2023
10:00AM - 10:12AM
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Y59.00011: Probing the structure and phonon properties of solids with auxiliary-field quantum Monte Carlo
Siyuan Chen, Shiwei Zhang
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