Anton Lopis obtained his BSc, BSc(Hons), MSc, and PhD from Wits University.
In his MSc and PhD he studied high spin nickel(II) coordination complexes
using computational methods under Leslie Glasser and Fabrizio Marsicano. A
postdoctoral research fellowship followed in Kevin Naidoo's Computational
Chemistry Group at the University of Cape Town (UCT) which involved modelling
platinum group metal complexes in solution. Thereafter, he did research in
Jack Fletcher's Centre for Catalysis Research at UCT involving the modelling
of diffusion in zeolites, before joining Mintek in 2007.
His current research entails the modelling of both molten salts and metal
alloys containing mainly titanium and aluminium. His main research interests
include various aspects of computational chemistry, especially the molecular
dynamics method, as well as force field development (i.e. parameterization
of such models).
Selected Publications:
1. A.S. Lopis and F.M. Mahomed, "A Linearization algorithm for second-order
ordinary differential equations", S.A. J. Science., 89 (1993) 328.
2. Anton S. Lopis, Leslie Glasser and Fabrizio Marsicano, "WMM2: A Program
for the Determination of MM2(87) Force-Field Parameters for Bonded
Atom Models Involving Atoms that May Be up to 12-Coordinate",
QCPE Bull., 17 (1997) 16.
3. Kevin J. Naidoo, Anton S. Lopis, Arjan N. Westra, David J. Robinson
and Klaus R. Koch, "Contact Ion Pair between Na+ and
PtCl62- favoured in Methanol", J. Am. Chem. Soc.
(Communication) 125 (2003) 13330-13331.
4. Arjan N. Westra, David J. Robinson, Anton S. Lopis, Kevin J. Naidoo
and Klaus R. Koch, "A 195Pt NMR and Computational Study Towards
Understanding the Solvation/Hydration Spheres of
PtCl62- and PtBr62-
Anions", Proceedings of the 17th International Solvent Extraction
Conference, Beijing, 19-23 September 2005.
Pyrometallurgy Division, Mintek,
200 Malibongwe Drive, Private Bag X3015, Randburg, 2125, South Africa
Phone: +27 (11) 709-4111
Fax: +27 (11) 793-6241