If you rotate an image of a molecular structure, a human can tell the rotated image is still the same molecule, but a machine ...

Research from all publishers Recent developments in dynamic graph algorithms have focused on optimising update operations while minimising computational overhead. Enhanced dynamic graph colouring ...

One of the shared, fundamental goals of most chemistry researchers is the need to predict a molecule's properties, such as ...

Efforts to unlock the mysteries of proteins, building blocks of life, have earned three scientists the 2024 Nobel Prize in chemistry. The prize goes to David Baker “for computational protein ...

Johannes Hachmann’s research uses computational and data science approaches to accelerate the discovery and design of new chemical compounds, reactions, and materials. His work combines techniques ...

Senior Analyst, AI & Quantum Computing, Paul Smith-Goodson, dives in as Quantinuum was formed in 2021 by the merger of Honeywell Quantum Solutions and Cambridge Quantum Computing. Today ...

Research in Tong’s Computational Data Science Lab focuses on two areas of computer science: Designing algorithms, the step-by-step instructions used by computer programs to complete specific tasks, ...