The Mammoth library is still under strong development and not yet publicly available.
The aim of Mammoth is to provide a tool to investigate chemistry from numerical simulations.
Force fields are build automatically from QM calculations.
Mammoth works with the ORCA and Gaussian QM codes and LAMMPS or Gromacs MD codes.
The team is part of the IPREM institute at University of Pau & Pays Adour
Modelling Researcher
Theoretical chemistry and numerical simulations
Theoretical chemistry
Theoretical chemistry