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Browsing Tag

DFT

2 posts
SScience
Machine learning helps density functional theory model molecules accurately
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Machine learning helps density functional theory model molecules accurately

  • October 1, 2025
  Nearly a third of US supercomputer time is spent on molecular modeling, a way to test-drive new…
PPhysics
Steel’s chemistry is being rewritten at industrial scale
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US scientists bring quantum-level accuracy to molecular modeling

  • September 22, 2025
Researchers at the University of Michigan have developed a new method that brings quantum-level accuracy to molecular modeling,…
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