Other Supported Software

• TAS-Paths (Automatic pathfinding for Triple-Axis Spectrometers (TAS) for neutron inelastic scattering measurements) Contact: Tobias

• SASview (Small Angle Scattering Analysis) Contact: Miguel
• QENSLibrary (Library for QENS data analysis - python fitting package) Contact: Miguel

Molecular Dynamics

• MDANSE  (Interactive application for analysing molecular dynamics simulations) Contact: Miguel / Stef
• Materials Studio (Molecular Modeling and Simulation) Contact: Miguel
• LAMMPS / DL Poly (Empirical molecular dynamics) Contact: Stef / Miguel
• NAMD / Gromacs (Molecular Force Fields) Contact: Miguel

Ab-INITIO CALculations

• VASP (Periodic plane wave simulations)  Contact: Stef 
• Crystal (Periodic Gaussian based simulations) Contact: Elisa
• Dalton/LSDalton (Molecular Electronic Structure Programs)  Contact: Elisa
• MOLCAS  (ab initio quantum chemistry software package) Contact: Elisa

Phonon code

• Phonon (Phonon curves and density spectra) Contact: Stef 
• Phonopy (Phonon calculations at harmonic and quasi-harmonic levels) Contact: Stef / Tobias