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.​​



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For robust modelling and accurate results – we need high quality models, however parameterising even simple models like Dissipative Particle Dynamics (DPD) is a difficult and time consuming task that must be done at the outset of any simulation project.

We have a developed a range of tools and approaches for generating industry-quality bespoke parameter sets for DPD simulations. These can be based on experimental data or on first principle calculations using Density Functional Theory. Parameter sets can be optimised using either a Force-balance method, or Bayesian optimisation.

Our MEAMfit tool is available for organisations under a commercial license. Use of the entire tool set is available through our Platform as a Service offering. We​ can also generate bespoke parameter sets for your organisation as part of a collaborative R&D project​.


Suitable for parameterising a wide range of industry products including:

  • Personal and home care products; creams and gels
  • Lubricants
  • Fuels incl. additives
  • Polymer melts and waxes​


Cost reduction through improved simulation accuracy.​


“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.