Project abstract for group gagliard

Quantum Chemical and Classical Simulations of Systems Containing Transition Metals

These researchers employ quantum chemical methods and classical simulations techniques to study the following chemical problems:

  • Homogeous and heterogeneous catalysis in energy-related processes
  • Reactivity and separation processes in nanoporous materials
  • Heavy element containing chemical systems.

The group employs various software packages available through MSI.

A bibliography of this group’s publications is attached.

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