Computational Chemical Physics

erc

We are developing and applying quantum and classical molecular simulation methods to study:

  • Ultrafast non-adiabatic dynamics of charge transport processes
  • Electron transfer in biological systems and organic semiconductors
  • Redox processes at solid/liquid interfaces
  • Transport and binding of small ligands in proteins

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Recent News

Aug 18 We are pleased to welcome Davide Dell'Angelo to the group. His recent work, at the University of Alberta, has focussed on the Quantum Classical Louiville equation approach to non-adiabatic molecular dynamics.

Aug 18 We are sad to be saying goodbye to Kevin Lively who will be starting a PhD at the Max Plank Institute in Hamburg, Germany.

Aug 18 We are sad to be saying goodbye to Daniel Holub who will be returning to Karlsruhe Institute of Technology (KIT) to complete the remainder of his studies.

Aug 18 We would like to congratulate Zdenek who won the poster prize at QBIC 2018.

Jun 18 Souyma will present his work in a talk entitled "Quantum Nuclear Effects in the Simulations of Non-adiabatic Charge Transfer Reactions" at PPES 2018 (https://www1.dcci.unipi.it/ppes/speakers.html)