Parameterisation Engine | Automated model creation
04 Apr 2018



The Parameterisation Engine is an automated workflow that optimises force-field parameters given target experimental or simulation data, enabling accurate representation of the real world.​​



To enable robust modelling and accurate results – high quality models must be employed but parameterising even simple models such as Dissipative Particle Dynamics is a difficult and time consuming task that must be undertaken at the outset of any simulation project. 

Read more and Download: MEAMfit2 


“Dissipative Particle Dynamics: Systematic Parameterization using water-octanol partition coefficients”, R. L. Anderson, D. J. Bray, A. S. Ferrante, M. G. Noro, I. P. Stott, P.B. Warren, The Journal of Chemical Physics 147, 094503 (2017)

For more information on the Parameterisation Engine – contact us.