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
– Theoretical studies on homogeneous and heterogeneous catalytic processes
– Structure and properties of coordination and organometallic compounds
– High precision calculations of atomic dipole polarizabilities
– Calculation of nuclear multipole moments and field gradients
– Accurate rotational-vibrational spectra for inorganic compounds
– Weak interactions (Van der Waals type) between atoms and molecules containing heavy elements
– Gas separation and storage for hydrogen, carbon dioxide and methane
– High-pressure physics
– 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)