Monday, March 6, 2023
8:00AM - 8:36AM
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A59.00001: GW in Gaussian Bloch Orbitals for Solids - relativistic effects, pseudopotentials, and impacts of different self-consistency cycles
Invited Speaker:
Dominika Zgid
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Monday, March 6, 2023
8:36AM - 8:48AM
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A59.00002: Mixed Stochastic-Deterministic Approach for GW Calculations
Aaron R Altman, Sudipta Kundu, Felipe H da Jornada
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Monday, March 6, 2023
8:48AM - 9:00AM
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A59.00003: BerkeleyGW on the Path to Exascale
Mauro Del Ben, Steven G Louie, Jack Deslippe
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Monday, March 6, 2023
9:00AM - 9:12AM
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A59.00004: Estimating the accuracy of pseudopotential based GW method at different levels of self consistency using Gaussian orbitals.
Vibin Abraham, Ming Wen, Gaurav Harsha, Gaurav Harsha, Dominika Zgid
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Monday, March 6, 2023
9:12AM - 9:24AM
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A59.00005: Charge Transfer Screening and Energy Level Alignment at Complex Organic–Inorganic Interfaces: A Tractable Ab Initio GW Approach
Nicholas Lin Quan Cheng, Catalin D Spataru, Fengyuan Xuan, Su Ying Quek
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Monday, March 6, 2023
9:24AM - 9:36AM
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A59.00006: Second-harmonic generation in 2D semiconductors via the time-dependent adiabatic GW method: the role of electron-hole interactions
Marcos Menezes, Felipe H da Jornada, Zhenglu Li
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Monday, March 6, 2023
9:36AM - 9:48AM
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A59.00007: Speeding-up GW calculations for 2D materials
Bimal Neupane, Yuanxi Wang
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Monday, March 6, 2023
9:48AM - 10:00AM
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A59.00008: Hilbert-Space Separation Schemes in Energy-Space and Real-Space for Excited-State Calculations
Diana Y Qiu, Victor Chang Lee, Marina R Filip, Felipe H Jornada, Jack McArthur
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Monday, March 6, 2023
10:00AM - 10:12AM
Author not Attending
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A59.00009: Periodic Coupled-Cluster Green's Function for Photoemission Spectra of Realistic Solids
Tianyu Zhu, Katelyn Laughon, Jason M Yu
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Monday, March 6, 2023
10:12AM - 10:24AM
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A59.00010: Quasiparticle self-consistent band structure and excitons of V2O5 and LiV2O5
Claudio Garcia, Santosh K Radha, Walter R Lambrecht
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Monday, March 6, 2023
10:24AM - 10:36AM
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A59.00011: A spin-dependent first-principles investigation of the optoelectronic properties of rare earth zirconates via GWA and the Bethe-Salpeter equation
Ryan Grimes, Shunshun Liu, Prasanna V Balachandran
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Monday, March 6, 2023
10:36AM - 10:48AM
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A59.00012: Ab-initio simulation of many-body effects in high-harmonic generation in monolayer WS2
Victor Chang Lee, Diana Y Qiu, Yang-hao Chan
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Monday, March 6, 2023
10:48AM - 11:00AM
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A59.00013: Accurate defect levels in semiconductors and insulators from Koopmans spectral functionals
Riccardo De Gennaro, Nicola Colonna, Nicola Marzari
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