Mammoth

Model for Atomic Molecular Mechanics On The Hub

Features

The Mammoth library is still under strong development and not yet publicly available.

Chemistry in silico

The aim of Mammoth is to provide a tool to investigate chemistry from numerical simulations.

Automatic generation of forcefield

Force fields are build automatically from QM calculations.

Interface with QM and MD codes

Mammoth works with the ORCA and Gaussian QM codes and LAMMPS or Gromacs MD codes.

The Team

The team is part of the IPREM institute at University of Pau & Pays Adour

Hugo Santos-Silva

Post-doc

Modelling Researcher

Germain Salvato-Vallverdu

Associate Professor

Theoretical chemistry and numerical simulations

Didier Bégué

Full professor

Theoretical chemistry

Isabelle Baraille

Full professor

Theoretical chemistry