Anton S. Lopis

Computational Scientist, Pyrometallurgy Division, Mintek


Anton Lopis 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.


Copyright © 2007, Anton Lopis, aslopis@gmail.com, Randburg, South Africa (Last updated on 11 October 2007)

Pyrometallurgy Division, Mintek, 200 Malibongwe Drive, Private Bag X3015, Randburg, 2125, South Africa

Phone: +27 (11) 709-4111
Fax: +27 (11) 793-6241