CTCP
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
FRSNZ, FNZIC, MAPS, MACS, MIAQMS

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

Peter

CURRENT AND FUTURE RESEARCH INTERESTS

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
– 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




Peter



Theoretical Developments:
– Physics beyond the Standard Model
– Relativistic, quantum electrodynamic and electroweak interactions in atoms and molecules
– The development pseudopotentials for molecules and the solid state
– Relativistic solutions for confined atoms and molecules
– Graph theoretical and topological properties of fullerenes
– The equation of state of gases, liquids and solids
– Simulation of phase transitions including melting and vapourization

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