MDANSE (Molecular Dynamics Analysis for Neutron Scattering Experiments)
MDANSE is a python application designed for computing neutron observables from molecular dynamics trajectories that can be directly compared with neutron scattering experiments, particularly inelastic and quasi-elastic neutron scattering spectroscopies.
At ISIS MDANSE upgradation project is led by Sanghamitra Mukhopadhyay (sanghamitra.mukhopadhyay@stfc.ac.uk) with helps from Miguel Gonzales (ILL), Eric Pellegrini (ILL), Remi Perenon (ESRF) and Dominik Jochym (STFC)