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- Title
Lukáš Grajciar.
- Abstract
So, we entrusted the task to the "in silico" reaction chamber, i.e., first principles method combined with unbiased reaction sampling and high temperature, which was successful. Our machine learning models are general and robust enough to "discover" new chemistry that we have not thought about beforehand, but which often makes a lot of sense a posteriori ... I celebrate success by starting to think about what to do next." B The most exciting thing about my research is b that it works, i.e., that our machine learning potentials are general and robust enough to "discover" new chemistry that we have not thought about beforehand, but which often makes a lot of sense a posteriori.
- Subjects
MACHINE learning; NANOPOROUS materials; SOCIAL engineering (Political science); ROLE models; COLLEGE teachers
- Publication
Angewandte Chemie, 2023, Vol 135, Issue 44, p1
- ISSN
0044-8249
- Publication type
Article
- DOI
10.1002/ange.202311849