The UK can’t continue its shambolic stop-go approach to supercomputing

A groundbreaking new book, Molecular Dynamics: Probability and Uncertainty, authored by Peter Coveney and Shunzhou Wan, is now available online, with a print release scheduled for 15 May 2025.

In an article published on August 9th 2024 in Times Higher Education, CCS director Professor Peter Coveney, together with co-author Dr Roger Highfield, argue that the UK government needs to rethink its approach to supercomputing and AI research.

Before a packed audience on Hay’s Wye Stage, Peter Coveney of UCL and Roger Highfield of the Science Museum discussed their panoramic account of digital twin research, Virtual You.

A UCL-led team of researchers is to use the world’s first exascale computer to identify a shortlist of potential new drugs for diseases and to better understand how stroke affects the brain.

From pangolin scales that can stand up to hard hits to colourful but sturdy peacock feathers, nature can do a lot with a few simple molecules.

We are pleased to announce the first open release of the TIES (Thermodynamic Integration with Enhanced Sampling) protocol, used for the rapid, accurate and reliable calculation of protein-ligand relative binding affinities.

Titled “Reliability and Reproducibility in Computational Science: Implementing Verification, Validation and Uncertainty Quantification in Silico” and a significant proportion of the papers contained therein stems from research led by UCL’s Centre for Computational Science.

Scientific teams of the two EU consortia call for a better public understanding of the inherent uncertainty of models predicting COVID-19 mortality rates, saying they should be regarded as “probabilistic” rather than being relied upon to produce a particular and specific out

HemeLB, developed by the team of Prof Peter Coveney at University College London (UK), is a software pipeline that simulates the blood flow through a stent (or other flow diverting device) inserted in a patient’s brain.