Selected Publications

Recent Publications

. HairyProbes. Efficient simulations with electronic open boundaries, Phys. Rev. B 94, 075118, 2016.

Source Document

. JCP III. Universal tight binding model for chemical reactions in solution and at surfaces. III. Stoichometric and reduced surfaces of titania and the adsorption of water, 2014.

Source Document

. JCP II. Universal tight binding model for chemical reactions in solution and at surfaces. II. Water, 2014.

Source Document

. JCP I. Universal tight binding model for chemical reactions in solution and at surfaces. I. Organic molecules, 2014.

Source Document

Recent & Upcoming Talks

Computational corrosion: Fundamentals
Thursday 25nd April, 2019 9:00 AM
International Workshop on Computational Electrochemistry
Monday 9nd July, 2018 12:00 PM
Computational Corrosion TYC
Tuesday 24nd April, 2018 9:00 AM

Recent Posts

As preparation for writing the original grant proposal, Tony Paxton and Andrew Horsfield put together some notes on their understanding of the definition of terms used in electrochemistry, and some of the understanding of physics of corrosion. Mnemonics and definitions OILRIG: Oxidation Is Loss Reduction Is Gain At an Anode we have oxidAtion At a Cathode we have reduCtion A reduction reaction has the electrons on the left.

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Projects

Contact

Please get in touch with the individual academics mentioned above. In particular, the Principal Investigators on this project are Tony Paxton and Andrew Horsfield.