Recent Publications

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

Source Document

(2014). 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.

Source Document

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

Source Document

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

Source Document

Recent & Upcoming Talks

Recent Posts

Notes written by Tony Paxton as part of a series of journal clubs at Kings College London and Imperial College London in 2018.

As preparation for writing the original grant proposal, Tony Paxton and Andrew Horsfield put together some notes on their understanding …

Projects

Magnesium

Magnesium alloys are lightweight and strong, but technological applications are limited by high rates of aqueeous corrosion (even damp …

Titanium

Titanium alloys are relatively corrosion resistant, but in the aerospace sector suffer stress corrosion cracking following degreasing …

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.