Paper accepted | Journal of Chemical Physics

Combining machine learning and molecular simulations to predict the…


Paper accepted | Faraday Discussions

Understanding the impact of ammonium ion substitutions on…


The Big Bang Fair - 2023

We have done quite a lot in terms of Outreach, this year, but nothing comes…


Paper accepted | Journal of Chemical Physics

Interplay of multiple clusters and initial interface positioning for…


Paper accepted | Journal of Chemical Information and Modeling

Generating protein folding trajectories Using contact-map-driven…


Crystallisation Day

  With the new year, we wanted to put together an Outreach activity that…


Paper accepted | Nature Communications

Understanding the emergence of the boson peak in molecular glasses……


Paper accepted | Molecular Systems Design and Engineering

Leveraging genetic algorithms to maximise the predictive capabilities of…


We are back - with a bang!

Perhaps unsurprisingly, not much happened in terms of outreach during the…