Quantum Chemistry Meets Machine Learning: Autonomous Computational Workflow for Chemical Discovery
Automation has long been revolutionizing our modern society since the first industrial revolution and has the potential to provide sufficient productivity forces for revolution is ongoing in computational sciences. Quantum chemistry software and modern computers have developed to a stage where virtu...
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Massachusetts Institute of Technology
2023
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| Online Access: | https://hdl.handle.net/1721.1/147418 |