Centre for Theoretical Chemistry and Physics
at Massey University (Albany Campus), New Zealand

Group Peter Schwerdtfeger

The research in the Schwerdtfeger group at Massey University focuses on virtually all areas of electronic structure theory in chemistry and physics. The current group consists of three PhD students and four postdoctoral fellows.

Distinguished Prof. Peter Schwerdtfeger

MSc. (Chem. Eng.), MSc (Chem.), BSc (Math.), PhD (Stuttgart)
Habil. (Marburg), Privatdozent

Director of the Centre for Theoretical Chemistry and Physics
New Zealand Institute for Advanced Study
Bob Tindall Bldg, Massey University (Albany Campus)
Private Bag 102904
North Shore MSC, 0632 Auckland
New Zealand
Mobile: +64-21663805
Phone +64-9-4140800 ext.43508
Fax (64) 09 443 9779
Email: p.a.schwerdtfeger@massey.ac.nz



Application of quantum theoretical methods:
– The chemistry and physics of heavy and superheavy elements
– First principles ab-initio and density functional studies for the solid state
– Chemistry at extreme conditions – materials under high pressure
– Theoretical studies on homogeneous and heterogeneous catalytic processes
– Structure and properties of coordination and organometallic compounds
– Calculation of nuclear multipole moments and field gradients
– Weak interactions (Van der Waals type) between atoms and molecules containing heavy elements
– Gas separation and storage for hydrogen, carbon dioxide and methane
– Simulation of metal clusters and nano-materials


Theoretical Developments:
– Relativistic, quantum electrodynamic and electroweak interactions in atoms and molecules
– The development of accurate pseudopotentials and corresponding correlation consistent basis sets
– Relativistic solutions for confined atoms and molecules
– Graph theoretical and topological properties of fullerenes
– The equation of state of gases, liquids and solids
– The simulation of melting processes using Monte-Carlo techniques
– Chemical Evolution Theory
– Variation of fundamental constants in space-time (together with V. V. Flambaum)

Maintained by Peter Schwerdtfeger | Last updated: January, 2015 | Copyright 2014 | Massey University