APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022;
Chicago
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Session Index
Session Z43: Large-Scale First Principles Atomistic Simulation: Recent Advances and New Challenges
Invited Session
Live Streamed
Show Abstracts
Sponsoring Units: DCOMP GDS GSCCM McCormick Place W-375B
Friday, March 18, 2022
Z43.00001: Automated parameterization of the atomic cluster expansion for predicting phase stability and mechanical properties Invited Speaker:
Ralf Drautz
Friday, March 18, 2022
Z43.00002: Symmetry Considerations for Machine Learning Algorithms Operating on 3D Geometry and Physical Data Invited Speaker:
Tess E Smidt
Friday, March 18, 2022
Z43.00003: Large Scale Simulations with the Deep Potential Method Invited Speaker:
Roberto Car
Friday, March 18, 2022
Z43.00004: ChIMES: Toward a Machine-Learned Solution for Simulations of Condensed Phase Chemistry Under Extreme Conditions Invited Speaker:
Rebecca K Lindsey
Friday, March 18, 2022
Z43.00005: Machine Learning for Molecular Properties: Going Beyond Interatomic Potentials Invited Speaker:
Sergei Tretiak
