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 of properties of materials proprieties
CCP-EM Doppio The CCP-EM Software Suite 2.0 (aka Doppio) integrates software tools from 15+ collaborating laboratories to enable researchers to solve high resolution 3D structures of proteins by combining many
CHAPSim2 (CHannel And Pipe flow Simulation) CHAPSim2 is a high-fidelity computational fluid dynamics solver designed for numerical solutions of turbulence and heat transfer in canonical configurations, enabling detailed investigation of
Multiscale Universal Interface (MUI) Multiscale Universal Interface (MUI) is a lightweight, header-only C++ library (with wrappers for Python, C and Fortran) that enables scalable, minimally intrusive coupling of hetrerogeneous multi-physics