Our Services

Our Services:

  • Force field parameter development for new materials
  • Consultation on the application of ReaxFF and associated computational chemistry software such as Density Functional Theory-based method and non-reactive force fields, using molecular dynamics and Monte Carlo based simulation concepts
  • Training sessions for ReaxFF

We accept projects requiring the development of proprietary force field parameters as well as projects which can be published in open literature.

Availability of the ReaxFF software:

  • ReaxFF has been integrated in the LAMMPS Molecular Dynamics Simulator available as an open source from Sandia National Lab (http://lammps.sandia.gov/ ).
  • ReaxFF is also released under license in ADF, which provides a user friendly graphical interface by the company SCM (http://www.scm.com/ReaxFF ). This code allows parallel, large-scale Molecular Dynamics simulations using ReaxFF, as well as an integrated DFT/ReaxFF simulation environment.

Please use the “Contact Us” page to inquire for pricing.