Particle Dynamics Modeller | Simulation tools for Dissipative Particle Dynamics
04 Apr 2018
Yes
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We have developed a suite of interoperable tools for simulation of Dissipative Particle Dynamics using GPU acceleration

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Dissipative Particle Dynamics (DPD) is a meso-scale simulation method, suitable for modelling a wide range of industry products. We have developed a suite of interoperable tools for DPD simulations spanning the whole modelling workflow from system setup, to running simulations using GPU-accelerated High Performance Computing as well as statistical and graphical analysis of simulation results.

Our tools are available for organisations to access under a commercial license for use on your own platforms, or through our Platform as a Service (PaaS) offering. We can also support bespoke simulation projects through collaborative R&D​.

  • ​​DL_MESO: for the GPU accelerated version – contact us
  • UBEAD: Automated coarse-grained simulation setup tool – contact us
  • UMMAP: Statistical and graphical analysis of DPD data​

​Applications

Suitable for modelling a wide range of industry products including:
  • ​Personal and home care products; creams and gels
  • Lubricants
  • Fuels incl. additives
  • Polymer melts and waxes

Benefits

  • Cost reduction and reduced time to market by replacing physical experiments with simulation
  • New insights into product performance

​Publications

"Micelle Formation in Alkyl Sulfate Surfactants Using Dissipative Particle Dynamics." R. L. Anderson, D. J. Bray, A. Del Regno, M. A. Seaton, A. S. Ferrante, P. B. Warren. Journal of Chemical Theory and Computation, 2018 14 (5), 2633 - 2643. ​https://pubs.acs.org/doi/full/10.1021/acs.jctc.8b00075 ​

“Towards a Standard Protocol for Micelle Simulation”, M. A. Johnston, W. C. Swope, K. E. Jordan, P. B. Warren, M. G. Noro, D. J. Bray, R. L. Anderson, J. Phys Chem B, 2016 120 (26) https://dx.doi.org/10.1021/acs.jpcb.6b03075




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