Centre for Theoretical Chemistry and Physics
Institute for Natural and Mathematical Sciences
Building 20
Massey University (Albany Campus)
Private Bag 102904
North Shore MSC, Auckland
New Zealand
Phone +64 9 414 0800
Email: i.welsh@massey.ac.nz
Research interests
Methods for automated generation of parameters for atomic-level molecular dynamics simulations, including fragment matching and assembley and estimation of missing parameters based on quantum mechanical calculations (with group of Prof. Alan Mark, University of Queensland).