Thursday, March 17, 2022
3:00PM - 3:36PM
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W46.00001: Molecular Dynamics Simulations of Lattice Thermal Conductivity with Machine-Learning Anharmonic Interaction
Invited Speaker:
Mei-Yin Chou
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Thursday, March 17, 2022
3:36PM - 3:48PM
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W46.00002: Finding Predictive Descriptors for Singlet Fission by Machine Learning
Siyu Gao
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Thursday, March 17, 2022
3:48PM - 4:00PM
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W46.00003: Time-resolved photoemission from a field-driven Holstein chain: A semi-classical Monte Carlo approach
Marko D Petrovic, Manuel Weber, James K Freericks
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Thursday, March 17, 2022
4:00PM - 4:12PM
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W46.00004: Exotic transport phenomena in quantum materials from ab initio
Yaxian Wang, Georgios Varnavides, Prineha Narang
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Thursday, March 17, 2022
4:12PM - 4:24PM
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W46.00005: Simulating THz field-induced ferroeletricity in quantum paraeletric SrTiO3 by solving Schrodinger-Langevin equation
Dongbin Shin, Angel Rubio
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Thursday, March 17, 2022
4:24PM - 4:36PM
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W46.00006: Ultrafast Spin Dynamics and Photoinduced Insulator-to-Metal Transition in α-RuCl3
Jin Zhang
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Thursday, March 17, 2022
4:36PM - 4:48PM
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W46.00007: Ultrafast dynamics of chiral phonons in WSe2 by first-principles lattice dynamics simulations
Xiao Tong, Jinsoo Park, Marco Bernardi
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Thursday, March 17, 2022
4:48PM - 5:00PM
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W46.00008: Calculating Phonons within the FLAPW Method using Density Functional Perturbation Theory (DFPT)
Christian-Roman Gerhorst, Alexander Neukirchen, Daniel A Klüppelberg, Markus Betzinger, Gustav Bihlmayer, Stefan Blügel
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Thursday, March 17, 2022
5:00PM - 5:12PM
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W46.00009: Electron spin decoherence due to phonons: Unified many-body framework and first-principles calculations
Jinsoo Park, Jin-Jian Zhou, Marco Bernardi
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Thursday, March 17, 2022
5:12PM - 5:24PM
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W46.00010: First-principles study of quasiparticle energies and optical excitations of 3C-SiC divacancy
Weiwei Gao, Felipe H da Jornada, Mauro Del Ben, Jack R Deslippe, Steven G Louie, James R Chelikowsky
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Thursday, March 17, 2022
5:24PM - 5:36PM
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W46.00011: Memory Function Representation for the Electrical Conductivity of Solids
Brett Green, Santiago Rigamonti, Maria Troppenz, Claudia Draxl, Jorge O Sofo
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Thursday, March 17, 2022
5:36PM - 5:48PM
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W46.00012: Study of high temperature Be from first principles
Brian Robinson, Andre Schleife, Stephanie B Hansen, Alina Kononov, Andrew D Baczewski
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