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Diabatization by Machine Intelligence
Yinan Shu
,
Donald G. Truhlar
Chemistry (Twin Cities)
Research output
:
Contribution to journal
›
Article
›
peer-review
27
Scopus citations
Overview
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Engineering & Materials Science
Electronic structure
68%
Deep neural networks
67%
Potential energy surfaces
38%
Electronic states
37%
Potential energy
25%
Personnel
17%
Computer simulation
12%
Physics & Astronomy
intelligence
100%
potential energy
23%
simulation
21%
electronic structure
20%
orbitals
19%
labor
18%
scalars
10%
matrices
7%
electronics
7%
Chemical Compounds
Simulation
44%
Electronic State
38%
Orbital
28%
Thiophenol
21%
Potential Energy
17%
Statistical Ensemble
17%
Potential Energy Surface
16%
Time
12%
Surface
11%