Computational Chemical Physics


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

Powered by

Recent News

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 (

Feb 18 Hui selected to present her work at the Thomas Young Centre Student Day 2018 (London, UK)

Nov 17 Sharon selected to present her work at the MGMS Young Modellers' Forum 2017 (Greenwich, UK)

Oct 17 PhD student Matt Ellis, Postdoc Alessandro Pirrotta, MSc student Zitong (Zak) Zheng and MSc student Kevin Lively join our group - a warm welcome!

Sep 17 Hui and Antoine selected to present their work at the CECAM Workshop: "Multiscale modelling of organic semiconductors: from elementary processes to devices" (Grenoble, France) and EPCP17 (Borgo, France), respectively.