Parameterisation Engine | Automated model creation
04 Apr 2018
Yes
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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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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 

Publications

“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) https://doi.org/10.1063/1.4992111




For more information on the Parameterisation Engine – contact us.



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