Group Peter Schwerdtfeger

Distinguished Prof. Peter Schwerdtfeger

MSc. (Chem. Eng.), MSc (Chem.), BSc (Math.), PhD (Stuttgart)
Habil. (Marburg), Privatdozent
FRSNZ, FNZIC, MAPS, MACS, MIAQMS

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





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
– Lattice sums in N dimensions
– The equation of state of gases, liquids and solids
– Development of algorithms for phase transitions including melting and vapourization

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