Paper accepted | Nature Communications

Combining High-resolution Scanning Tunnelling Microscopy and First-principles…


Fabienne wins award in STEM for Britain poster competition!

Congratulations this week go to Fabienne, a PhD student in the group, who won…


Paper accepted | Journal of Physical Chemistry B

Insights into the Emerging Networks of Voids in Simulated Supercooled Water…


Science Gala 2020

Last week the group returned to the evening extravaganza that is the annual…


Paper accepted | Journal of Physics D: Applied Physics

Atomistic simulations of thermal conductivity in GeTe nanowires   Yet…


Paper accepted | Molecular Systems Design & Engineering

Less may be more: an informed reflection on molecular descriptors for drug…


Paper Published | MRS Bulletin

Harnessing Machine Learning Potentials to Understand the Functional Properties…


Paper accepted | Nature Methods

Promoting transparency and reproducibility in enhanced molecular simulations…


CMS 2019 - What a blast!

Eventually, it happened! The 6th Computational Molecular Science (a.k.a. CMS)…