Feb 17: Our combined experimental/computational study on the atomistic structure of the hematite/liquid water interface has been published in JACS.

Dec 16: MSc student Oliver Gittus, PhD student Samuele Giannini, Post-doc Zdenek Futera and Peter Cooke join our group – a warm welcome!

Oct/Nov 16: Jacob and Fruzsina pass their PhD examinations with minor corrections – congrats!

Sep 16: Congratulations to Sharon for winning the Poster Prize at the Paris International School on Advanced Computational Material Science (PISACM2016) with her poster ‘Coupling matrix element calculation in small tetraheme cytochrome using fragment-orbital density functional theory’.

Aug 16: After years of thinking, discussing and coding, the first paper on our fast non-adiabatic molecular dynamics method is out! Well done, Jacob, Fruzsina and many thanks to Laura and Antoine for their critical input. [click here to view it]

Aug 16: Our Nature Chemistry paper is out revealing the destructive effects of molecular oxygen on the world’s best H2 producers – FeFe hydrogenases.[click here to view it]

Jul 28: Our paper “Hematite(001)-liquid water interface from hybrid density functional-based molecular dynamics” is out [click here to view it]

Mar 16: Jochen has been awarded a Hans Fischer Fellowship by the Institute of Advanced Studies at TU Munich – he’s looking forward to extended research stays with Harald Oberhofer and Karsten Reuter

Mar 16: Our paper “Fast Interconversion of Hydrogen Bonding at the Hematite (001)–Liquid Water Interface” is out [click here to view it]

Jan 16 : We’ve been awarded a 2M Euro ERC Consolidator grant “SOFTCHARGE – Charge Carrier Transport in Soft Matter: From Fundamentals to High-Performance Materials”.