Prof. William A. Goddard
chemistry, materials science, applied physicsCaltech
Pasadena, CA, USA
| wag@wag.caltech.edu | |
| https://directory.caltech.edu/personnel/wag |
OpenKIM Username: wag
OpenKIM User ID: 9add6d8b-9f44-444a-84fa-6c3cc482606b
Description of Work —
Contributor of the following OpenKIM content:
None
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Implementer of the following OpenKIM content:
None
OpenKIM User ID: 9add6d8b-9f44-444a-84fa-6c3cc482606b
Description of Work —
Generic classical force fields such as Dreiding and Universal Force Field (UFF)
Charge prediction models such as: Charge Equilibration (QEq) and Polarizable QEq(PQEq)
Reactive Force fields such as ReaxFF, ReaxPQ, and RxVBPQ
Electron containing force fields such a Interstitial Electron Model (IEM) and electron force field (eFF)
Materials
For UFF we go up to Lw(Z=103)
The others are for various classes spanning periodic table
Bibliography
http://www.wag.caltech.edu/publications/papers/
https://scholar.google.com/citations?user=yMZlErUAAAAJ&hl=en
Charge prediction models such as: Charge Equilibration (QEq) and Polarizable QEq(PQEq)
Reactive Force fields such as ReaxFF, ReaxPQ, and RxVBPQ
Electron containing force fields such a Interstitial Electron Model (IEM) and electron force field (eFF)
Materials
For UFF we go up to Lw(Z=103)
The others are for various classes spanning periodic table
Bibliography
http://www.wag.caltech.edu/publications/papers/
https://scholar.google.com/citations?user=yMZlErUAAAAJ&hl=en
Contributor of the following OpenKIM content:
None
Developer of the following OpenKIM content:
Implementer of the following OpenKIM content:
None
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