Monday, March 15, 2021
11:30AM - 11:42AM
Live
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B20.00001: Non-Perturbative Theory of Charge Transport in Crystalline Solids
Christian Carbogno, Matthias Scheffler
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Monday, March 15, 2021
11:42AM - 11:54AM
Live
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B20.00002: Gaussian time-dependent variational principle for the finite-temperature anharmonic lattice dynamics
Jae-Mo Lihm, Cheol-Hwan Park
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Monday, March 15, 2021
11:54AM - 12:06PM
Live
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B20.00003: Phonons of solid atomic Hydrogen with quantum Monte Carlo
Kevin Ly, David M Ceperley
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Monday, March 15, 2021
12:06PM - 12:18PM
Live
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B20.00004: Ab initio calculation of Hall mobility in semiconductors
Samuel Ponce, Francesco Macheda, Elena R Margine, Nicola Marzari, Nicola Bonini, Feliciano Giustino
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Monday, March 15, 2021
12:18PM - 12:30PM
Live
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B20.00005: Computing Nonradiative Capture Coefficients from First Principles
Mark Turiansky, Audrius Alkauskas, Manuel Engel, Georg Kresse, Darshana Wickramaratne, Jimmy Shen, Cyrus Dreyer, Chris Van de Walle
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Monday, March 15, 2021
12:30PM - 12:42PM
Live
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B20.00006: Electron-Phonon Interactions Using Wannier Functions and the Projector-Augmented-Wave Method
Manuel Engel, Carla Verdi, Martijn Marsman, Georg Kresse
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Monday, March 15, 2021
12:42PM - 12:54PM
Live
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B20.00007: From deformation potential extraction to electronic transport simulations: an efficient and practical approach
Zhen Li, Patrizio Graziosi, Neophytos Neophytou
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Monday, March 15, 2021
12:54PM - 1:06PM
Live
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B20.00008: Ab initio calculations of electron-charged defect interactions and low temperature mobility
I-Te Lu, Jin-Jian Zhou, Jinsoo Park, Marco Bernardi
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Monday, March 15, 2021
1:06PM - 1:18PM
Live
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B20.00009: Neural Network Potential for Lattice Dynamics Calculations and Thermal Conductivity Prediction
Jie Gong, Hyun-Young Kim, Alan McGaughey
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Monday, March 15, 2021
1:18PM - 1:30PM
Live
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B20.00010: Effect of higher-order anharmonicity on the phonon lineshapes in weakly-bonded solids from first principles
Navaneetha Krishnan Ravichandran
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Monday, March 15, 2021
1:30PM - 1:42PM
Live
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B20.00011: Anharmonic phonon spectra of all four phases of BaTiO3
Ali Hamze, Valentina Lacivita, Yan Wang, Jeong-Ju Cho
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Monday, March 15, 2021
1:42PM - 2:18PM
Live
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B20.00012: Probing non-equilibrium structural dynamics in low-dimensional and correlated materials using ultrafast diffraction
Invited Speaker:
Aditya Sood
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Monday, March 15, 2021
2:18PM - 2:30PM
On Demand
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B20.00013: Evaluating Computational Shortcuts in Supercell-Based Phonon Calculations of Molecular Crystals: The Instructive Case of Naphthalene
Tomas Kamencek, Sandro Wieser, Hirotaka Kojima, Natalia Bedoya-Martínez, Johannes P. Dürholt, Rochus Schmid, Egbert Zojer
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