Theoretical, computational and digital chemistry
Theoretical, computational and digital chemistry
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Research topics
Research topics
Nuclear dynamics
Nuclear dynamics
Reactive Scattering · Potential Energy Surfaces · Reaction Dynamics and Kinetics · Astrochemistry
Electronic structure
Electronic structure
Relativistic DFT · Chemical Bonding · Superheavy Elements · Coordination Chemistry
Stochastic modeling
Stochastic modeling
Dynamics of Macromolecules in Solution · Molecular Flexibility · Calculation of NMR Observables
Computers and chemistry
Computers and chemistry
Scientific Programming · High-Performance Computing · Virtual Reality · Artificial Intelligence
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