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How accurate is density functional theory at high pressures?
How accurate is density functional theory at high pressures?
Nov 13, 2024
1 min read
outgoing-citations
Authors
Ching-Chien Chen
Robert J. Appleton
Kat Nykiel
Saswat Mishra
Shukai Yao
Alejandro Strachan
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Discovery of new high-pressure phases – integrating high-throughput DFT simulations, graph neural networks, and active learning