MAPS QUANTUM simulation engines toolkit includes several world-class codes such as NWCHEM, QUANTUM ESPRESSO, ABINIT and others and offers Graphical User Interfaces to other third party software such as MOPAC, VASP and TURBOMOLE.
MAPS CLASSICAL & MESOSCALE simulation toolkit contains world-class simulation engines such as LAMMPS, CHAMELEON, TOWHEE, NAMD. In addition an important collection of ready-to-use workflows and a rich Force-Field library are included.
Technologies that address critical questions at the macroscopic scale using state-of-the-art Thermodynamics models. MAPS INFORMATICS and MACHINE LEARNING technology provides Big Data Analytics and leverage available information in public domain as well as within different parts of an organization.