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Diabatization by Machine Intelligence
Yinan Shu
,
Donald G. Truhlar
Chemistry (Twin Cities)
Research output
:
Contribution to journal
›
Article
›
peer-review
14
Scopus citations
Overview
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Engineering & Materials Science
Computer simulation
12%
Deep neural networks
67%
Electronic states
37%
Electronic structure
68%
Personnel
17%
Potential energy
25%
Potential energy surfaces
38%
Physics & Astronomy
electronic structure
20%
electronics
7%
intelligence
100%
labor
18%
matrices
7%
orbitals
19%
potential energy
23%
scalars
10%
simulation
21%
Medicine & Life Sciences
Artificial Intelligence
92%
Chemical Phenomena
33%
Physical Phenomena
32%
thiophenol
47%
Chemical Compounds
Electronic State
38%
Orbital
28%
Statistical Ensemble
17%
Surface
11%
Thiophenol
21%
Time
12%