Quantum chemistry, molecular dynamics and molecular mechanics calculations (consultations, calculations, research with the legal programmes on a supercomputer)
- Unit: Faculty of Physics
- Keywords: Supercomputer, high performance computing, HPC, quantum chemistry, molecular mechanics, Gamess, NwChem, Dalton, Gausian09, Amber12, Crystal, VASP
Quantum chemistry and molecular mechanics calculations, using Gamess, NwChem, Dalton, Gausian09, Amber12, Crystal, VASP software. Consultations on using the applied programmes on a supercomputer.
Application. Calculations and research using the before-mentioned software.
Contacts:
Dr. Juozas Šulskus, tel. +370 5 236 6049,