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...and another JPCL accepted!


The new year starts with an accepted paper in JPCL on the topic of predicting crystal polymorphism with dispersion-corrected tight-binding methodology.
This is a collaboration with the Tkatchenko group (Uni Lux) and Gerit Brandenburg (UCL).

Wed 03 January 2018, 22:55

Early X-mas present: Paper accepted in JPCL!


Our paper on "Electron-Hole-Pair-Induced Vibrational Energy Relaxation of Rhenium Catalysts on Gold Surfaces" made it into The Journal of Physical Chemistry Letters.
This is a collaboration work with the groups of Victor Batista (Yale University) and Tim Lian (Emory University). Check it out!

Mon 11 December 2017, 20:44

2 Visitors have joined for collaboration projects: Dr Balint Aradi and Dr. Chiara Panosetti

During this week, Dr. Balint Aradi from the University of Bremen will join us as an
Institute of Advanced Study Residential Fellow to help the release of our Many Body Dispersion interface in the DFTB+ code.

At the same time, Dr. Chiara Panosetti from the Technical University of Munich will join us
as a recurring visitor as an Honorary Visiting Research Fellow.

Welcome to both!

Wed 22 November 2017, 13:58

Today I am giving a talk at the MAS-CDT seminar. Come check it out!

Today at 1pm in the MOAC seminar room, Senate House, I'll be giving an introductory talk
about computational modelling of hot-electron- and surface chemistry for postgraduate students.

Come check it out!

Wed 15 November 2017, 10:07

We've officially started in Warwick!

Great new offices, great new colleagues! Looking forward to do some great science!

Fri 15 September 2017, 12:32