Hi everyone,

Starting with Materials Studio 2020, a new version of the COMPASS forcefield is available, COMPASS III. This will be the recommended version of COMPASS to use going forward.

Details of the methodology, structure databases used, and fit results can be found in a recent paper:

R.L.C. Akkermans, N.A. Spenley & S.H. Robertson, COMPASS III: automated fitting workflows and extension to ionic liquids, Molecular Simulation (2020), DOI: 10.1080/08927022.2020.1808215

To obtain a PDF version, please first check the above DOI-link to see if your institution provides access. If not, the publisher Taylor & Francis has kindly provided 50 free copies using this link, available on a first-come-first-serve basis.

Enjoy,

Reinier