APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022;
Chicago
Session Index
Session M47: Computational Design and Discovery of Novel Materials V
Focus
Recordings Available
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Show Abstracts |
Sponsoring Units: DCOMP DMP
Chair: Viet-anh Ha, University of Texas at Austin
Room: McCormick Place W-470B
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Wednesday, March 16, 2022
8:00AM - 8:12AM
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M47.00001: Structure prediction of epitaxial inorganic interfaces by lattice and surface matching with Ogre
Saeed Moayedpour
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Wednesday, March 16, 2022
8:12AM - 8:24AM
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M47.00002: Crystal structure prediction of energetic materials and a twisted arene with Genarris and GAtor
Dana O'Connor
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Wednesday, March 16, 2022
8:24AM - 8:36AM
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M47.00003: Design principles for the discovery of non-cubic polymorphous networks
Oleksandr I Malyi, Xingang Zhao, Alex Zunger
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Wednesday, March 16, 2022
8:36AM - 8:48AM
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M47.00004: Ab initio modeling of MAB phase solid solutions
Deniz Cakir
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Wednesday, March 16, 2022
8:48AM - 9:00AM
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M47.00005: Crystal structure prediction from bulk (oxynitrides) to interfaces (SnO2/CdTe)
Stephan Lany, Abhishek Sharan
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Wednesday, March 16, 2022
9:00AM - 9:36AM
Withdrawn
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M47.00006: Structural transitions in amorphous silicon from machine learning
Invited Speaker:
Volker Deringer
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Wednesday, March 16, 2022
9:36AM - 9:48AM
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M47.00007: Novel high-pressure phases in the binary transition metal chalcogenide systems of Nb, Mo, Se and S
Roman Lucrezi, Christoph Heil
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Wednesday, March 16, 2022
9:48AM - 10:00AM
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M47.00008: Coordinate-free representation of crystals for accelerated materials discovery using machine learning.
Rhys Goodall, Abhijith S Parackal, Felix A Faber, Rickard Armiento, Alpha A Lee
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Wednesday, March 16, 2022
10:00AM - 10:12AM
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M47.00009: Boron-doped alumina for smart lubricants: Theory and experiment
Nicholas J Wilson
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Wednesday, March 16, 2022
10:12AM - 10:24AM
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M47.00010: Thermophysical Investigation of Sodium-Indium Alloy
Narayan Panthi
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