Friday, March 18, 2022
11:30AM - 12:06PM
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Z48.00001: Excited states of solids and nanomaterials using quantum Monte Carlo methods
Invited Speaker:
Paul Kent
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Friday, March 18, 2022
12:06PM - 12:18PM
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Z48.00002: A Novel Pathway from DFT to CI
Jose Gustavo Bravo Flores, Alexander I Johnson, Mark R Pederson, Kushantha Withanage, Koblar A Jackson
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Friday, March 18, 2022
12:18PM - 12:30PM
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Z48.00003: Quasiparticle Electronic Structure and Optical Properties of CdS Quantum Dots and their Assemblies in Different Dimensions
Joseph Frimpong, Sandip Aryal, Zhenfei Liu
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Friday, March 18, 2022
12:30PM - 12:42PM
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Z48.00004: Molecular dielectric embedding GW for ionically bonded hybrid perovskites
Jack McArthur, Marina R Filip, Diana Y Qiu
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Friday, March 18, 2022
12:42PM - 12:54PM
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Z48.00005: Excited-state forces in organic metal halide perovskites from GW/BSE calculations
Rafael R Del Grande, David A Strubbe
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Friday, March 18, 2022
12:54PM - 1:06PM
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Z48.00006: Quantum Simulations of Thermally Activated Delayed Fluorescence in an All-organic Emitter
Tommaso Francese, Arpan Kundu, Francois Gygi, Giulia Galli
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Friday, March 18, 2022
1:06PM - 1:18PM
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Z48.00007: Quasiparticle and optical properties of phthalocyanine-TMD interfaces from first-principles GW-BSE
Zhenfei Liu
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Friday, March 18, 2022
1:18PM - 1:30PM
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Z48.00008: Energy and Charge Transfer Excitations in a Bacterial Reaction Center from First Principles
Linn Leppert
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Friday, March 18, 2022
1:30PM - 1:42PM
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Z48.00009: Optimal polymorphs of tetracene for singlet fission.
Rithwik Tom, Siyu Gao, Noa Marom
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Friday, March 18, 2022
1:42PM - 1:54PM
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Z48.00010: First-principles Studies of Tl activated Scintillator Phosphor Materials: Towards an understanding of the Scintillation mechanism
Andrew M Canning, Mauro Del Ben, Shivani Srivastava, Jaroslaw Glodo
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Friday, March 18, 2022
1:54PM - 2:06PM
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Z48.00011: Exploration of ab-initio calculations for 3d transition metal Kα X-ray Emission Spectra (XES)
Charles Cardot
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