APS March Meeting 2019
Volume 64, Number 2
Monday–Friday, March 4–8, 2019;
Boston, Massachusetts
Session Index
Session R17: Matter in Extreme Environments: Theoretical Methods and Applications II
Focus
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Sponsoring Units: DCOMP
Chair: Jorge Botana, California State University, Northridge
Room: BCEC 156A
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Thursday, March 7, 2019
8:00AM - 8:36AM
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R17.00001: New directions for random search
Invited Speaker:
Chris Pickard
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Thursday, March 7, 2019
8:36AM - 8:48AM
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R17.00002: Theoretical Prediction of Superhard Materials with the XtalOpt Evolutionary Algorithm
Xiaoyu Wang, Patrick Avery, Davide Proserpio, Cormac Toher, Stefano Curtarolo, Eva Zurek
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Thursday, March 7, 2019
8:48AM - 9:00AM
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R17.00003: Meta GGA (SCAN) + van der Waals functionals (rvv10) calculation for K-edge X-ray Raman Spectrum of the epsilon and zeta phase of solid oxygen
Le Anh, Masahiro Wada, Zhi Li, Hiroshi Fukui, Toshiaki Iitaka
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Thursday, March 7, 2019
9:00AM - 9:12AM
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R17.00004: Dynamic non-equilibrium chemical bonding pathways under thermomechanical compression
Anguang Hu
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Thursday, March 7, 2019
9:12AM - 9:24AM
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R17.00005: phq: a Fortran code to compute phonon quasiparticle properties and dispersions
Zhen Zhang, Dong-Bo Zhang, Tao Sun, Renata Wentzcovitch
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Thursday, March 7, 2019
9:24AM - 9:36AM
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R17.00006: Evolutionary optimized PAW (EPAW) data-sets across the periodic table
Kanchan Sarkar, Natalie A Holzwarth, Renata Wentzcovitch
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Thursday, March 7, 2019
9:36AM - 9:48AM
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R17.00007: qha: A Python package for quasi-harmonic free energy calculation for multi-configuration system
Qi Zhang, Tian Qin, Koichiro Umemoto, Renata Wentzcovitch
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Thursday, March 7, 2019
9:48AM - 10:00AM
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R17.00008: Intrinsic Lattice anharmonicity and thermal conductivity of PbTe at High Temperature: Breakdown of the Phonon Minimal Mean Free Path Theory
XingJu Zhao, Dong-Bo Zhang, Yong Lu, Tao Sun
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Thursday, March 7, 2019
10:00AM - 10:36AM
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R17.00009: Thermodynamics and Thermal Conduction at Extreme Conditions Based on Phonon Quasiparticles
Invited Speaker:
Dong-Bo Zhang
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