Q Development and debugging

Dnr:

SNIC 2017/5-1

Type:

SNAC Small

Principal Investigator:

Paul Bauer

Affiliation:

Uppsala universitet

Start Date:

2017-01-04

End Date:

2018-01-01

Primary Classification:

10499: Annan kemi

Webpage:

Allocation

Abstract

Development and debugging for the Q software used by the Åqvist and Kamerlin groups at Uppsala University. The work is focused on improving the performance of the Q molecular dynamics software and the implementation of new functions.