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Research topics in my group span a wide range of topics from Solid State Physics to Computational Chemistry, going from nano-clusters to solid-state properties, from atomic to molecular systems. A particular focus is the study of melting under ambient and extreme conditions (ultra high pressures and magnetic fields) using Monte-Carlo or molecular-dynamic simulations. Further topics are highly accurate calculations of cohesive energies of solids, computation of cohesive energies via lattice sums and the extension and implementation of the Full Configuration Interaction Monte Carlo method of bosonic systems, a stochastic approach to finding ground states of quantum systems.
melting transitions in few-atom clusters and solid stae, parallel tempering Monte Carlo method, equations of states, high-pressure chemistry/physics
Field of research codes
Atomic and Molecular Physics (020201): Atomic, Molecular, Nuclear, Particle and Plasma Physics (020200):
Chemical Science (030000):
Condensed Matter Modelling and Density Functional Theory (020403): Condensed Matter Physics (020400): Physical Sciences (020000):
Quantum Chemistry (030701): Statistical Mechanics in Chemistry (030704): Theoretical and Computational Chemistry (030700)