Computational Fluid Dynamics solver aimed to solve multi-physics problems with unstructured finite volume methods will be able to use dynamical refinement and MPI-based parallel processing (Fortran-90-based, uses BLAS, LAPACK, CGNS libraries).
Finds the total energy, charge density, and electronic structure of systems made of electrons and nuclei, using pseudopotentials and a plane-wave basis.
Package for creating and integrating chemistry schemes in atmospheric models without the need to write any Fortran code to solve the chemical rate equations. Developed by Dr. Glenn Carver and Dr. Paul Brown (assisted by Dr. Oliver Wild) of the Centre ...
Solves the one-dimensional Schrödinger equation for bound state eigenvalues and eigenfunctions corresponding to a potential V(x). By F. Gogtas, G.G. Balint-Kurti and C.C. Marston.
Neural Network program for jet discrimination and other High Energy Physics triggering situations, by Leif Lonnblad, Carsten Peterson, Hong Pi, and Thorsteinn Rognvaldsson.
Fortran 90 code using density functional theory to provide a good atomic-level description of all manner of materials and molecules. Castep can give information about total energies, forces and stresses on an atomic system, as well as calculating opti...