Wednesday, March 17, 2021
3:00PM - 3:36PM
Live
|
|
P20.00001: Quantifying Uncertainty in First-Principles Predictions of Molecular Vibrational Frequencies, Phonon Properties, and Thermal Conductivity
Invited Speaker:
Alan McGaughey
|
Wednesday, March 17, 2021
3:36PM - 3:48PM
Live
|
|
P20.00002: Electron-phonon drag enhancement of transport properties from fully coupled ab initio Boltzmann formalism
Nakib Protik, Boris Kozinsky
|
Wednesday, March 17, 2021
3:48PM - 4:00PM
Live
|
|
P20.00003: CDW phases of rare-earth Tritellurides from first principles
Adam Denchfield, Hyowon Park, Peter Littlewood
|
Wednesday, March 17, 2021
4:00PM - 4:12PM
Live
|
|
P20.00004: Phonon linewidths as measures of anharmonicity in different materials
Claire Saunders, Brent Fultz
|
Wednesday, March 17, 2021
4:12PM - 4:24PM
Live
|
|
P20.00005: Longitudinal and Transverse Dispersion in Liquids from Elementary Excitations
Alexander Fullmer, Anant Raj, Jacob Eapen
|
Wednesday, March 17, 2021
4:24PM - 4:36PM
Live
|
|
P20.00006: Improvements to the Frequency Domain Perfectly Matched Layer (FDPML) method for fast and large scale phonon transport simulation in nanostructures
Joseph Feser, Rohit R Kakodkar
|
Wednesday, March 17, 2021
4:36PM - 4:48PM
Live
|
|
P20.00007: State-of-the-Art Matrix-Product-State Methods for Lattice Models with Large Local Hilbert Spaces and Without Number Conservation
Jan Stolpp, Thomas Koehler, Salvatore R Manmana, Eric Rene Jeckelmann, Fabian Heidrich-Meisner, Sebastian Paeckel
|
Wednesday, March 17, 2021
4:48PM - 5:00PM
Live
|
|
P20.00008: First principles simulations of phonon-assisted indirect optical properties of common SiC polytypes
Xiao Zhang, Emmanouil Kioupakis
|
Wednesday, March 17, 2021
5:00PM - 5:12PM
Live
|
|
P20.00009: Quasi-harmonic temperature dependent elastic constants from first principles
Cristiano Malica, Andrea Dal Corso
|
Wednesday, March 17, 2021
5:12PM - 5:24PM
Live
|
|
P20.00010: Lattice dynamics of body-centered cubic Zr and FeTi from scratch
Adrian De la Rocha Galán, Vanessa Judith Meraz, Armando Garcia, Bethuel Khamala, Yu-Hang Tang, Wibe A De Jong, Jorge Munoz
|
Wednesday, March 17, 2021
5:24PM - 5:36PM
Live
|
|
P20.00011: Spin-lattice coupling in the classical invar alloy from first principles
Matthew Heine, Olle Hellman, David Broido
|
Wednesday, March 17, 2021
5:36PM - 5:48PM
Live
|
|
P20.00012: Search for high thermal conductivity materials among boron/carbon/nitrogen compounds
Chunhua Li, Matthew Heine, David Broido
|
Wednesday, March 17, 2021
5:48PM - 6:00PM
Live
|
|
P20.00013: Implementation, validation and applications of electron-phonon calculations to large systems
Han Yang, Marco Govoni, Giulia Galli
|
