Search found 2 matches

by Dawes
Thu Nov 19, 2015 2:12 pm
Forum: The CASINO program
Topic: Tutorial for DMC using MCSCF trial wfn
Replies: 2
Views: 12565

Tutorial for DMC using MCSCF trial wfn

Hi Everyone, My student Andrew Powell has been running DMC calculations using multiconfigurational trial wavefunctions from GAMESS. There were some difficulties along the way (things like errors in coefficient phases etc), but he has had it working well for some time now. (thanks to some help from A...
by Dawes
Fri Jun 07, 2013 8:47 pm
Forum: Jobs
Topic: Postdoc Position in Rolla Missouri
Replies: 0
Views: 9216

Postdoc Position in Rolla Missouri

Postdoc Position in Rolla Missouri An NSF-funded position is available for a post-doctoral scholar in my group http://chem.mst.edu/facultyandstaff/rdawes/ at the Missouri University of Science and Technology (formerly UMR) http://www.mst.edu/. The project is titled Molecular Dynamics and Spectroscop...