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

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)

We welcome Daniel Holub to our group who is visiting for 3 months from the Karlsruhe Institute of Technology, in Germany.

May, 18 We welcome a new member Orestis Ziogos to our group. Orestis has joined us from the University of Athens where he completed his PhD on the subject of "Multiscale Simulations of Discotic Materials".

Apr, 18 Sam and Matt presented a poster last month at the Nonadiabatica Conference in Jerusalem, Israel.

Mar, 18 We're all very sad to see Antoine leaving, he will be missed. We wish him every success at his new position in the Department of Chemistry at the École Normale Supérieure (http://www.chimie.ens.fr/)