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Published July 12, 2022 | Version v1
Journal article Open

Supplementary Information of Geometry Relaxation and Transition State Search with Quantum Machine Learning

Creators

  • 1. University of Vienna
  • 2. University of Toronto, Vector Institute

Description

Supplementary Information of Geometry Relaxation and Transition State Search with Quantum Machine Learning.
- Geometries
- Scripts
- Validation data

Files

Files (2.3 MB)

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md5:e42cd49c289cc48d01544962593993a2
2.3 MB Download

Additional details

Funding

QML – Quantum Machine Learning: Chemical Reactions with Unprecedented Speed and Accuracy 772834
European Commission