Username:
wag

Title:
Prof.

First Name:
William

Last Name:
Goddard

Published Name:
William A. Goddard

OpenKIM User ID:
9add6d8b-9f44-444a-84fa-6c3cc482606b

Email:
wag@wag.caltech.edu

Institution:
Caltech

Department:
chemistry, materials science, applied physics

Country:
US

Website:
https://directory.caltech.edu/personnel/wag

Biography:


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 


Contributor of the following OpenKIM content:


Developer of the following OpenKIM content:
Sim_LAMMPS_ReaxFF_AnGoddard_2015_BC__SM_389039364091_000
Sim_LAMMPS_ReaxFF_ChenowethVanDuinGoddard_2008_CHO__SM_584143153761_001
Sim_LAMMPS_ReaxFF_ChenowethVanDuinPersson_2008_CHOV__SM_429148913211_001
Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001


Implementer of the following OpenKIM content: