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Software Spotlight – August 2026
CRYSTAL is an ab initio electronic structure program, concentrating on density functional theory (DFT) for periodic systems. Unusually, the software uses a Gaussian Basis set.…
Software Spotlight – July 2026
USolv USolv is a machine learning approach to predicting protein crystal solvent content, which can be a key bottleneck in the protein structure solution pipeline. The models are based on the Vit-V-Net transformer and U-Net convolutional…
Addressing the UK’s clean energy goals: How multiscale computer modelling can benefit wind farms
From turbulent ocean waves acting on offshore structures to detailed heat transfer within cryogenic systems, modern engineering and scientific challenges require increasingly sophisticated modelling that…
Don’t miss the Turbulence‑Modelling & HPC summer school, 20-22 October 2026!
After a great workshop in Barcelona last October, ‘Advanced Computational Fluid Dynamics (CFD) and Turbulence Modelling targeting HPC’ is returning as a summer school this…
CCP-SyneRBI and CCPi’s PETRIC challenge continues its success with second running
Positron emission tomography (PET) is a functional medical imaging technique which uses radioactive tracers to highlight areas of high activity in the body’s cells. Detectors around the body detect photon…
Software Spotlight – June 2026
CASTEP CASTEP is a leading code for calculating the properties of materials from first principles. Using density functional theory, it can simulate a wide range…Sign up to our mailing list
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