Consumable Computing for Chemistry | Making simulation accessible to all
04 Apr 2018
Yes
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Complex simulation & analysis workflows can be configured and executed remotely by a non-expert user from an iPad app or web interface.

Yes

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Building on the Particle Dynamics Modeller, we have developed a series of virtual experiments that are digital analogues of lab-based formulation chemistry. R&D scientists in your organisation can both configure experiments and execute them remotely on our high performance computing (HPC) platforms at the Hartree Centre. ​

​​​Examples of virtual experiments 

  • ​Salt curve plotting
  • Meso-structure mapping
  • Micelle formation
  • Adsorption isotherms of surfactants on to surfaces​
  • ​Phase boundary detection (ternary phase diagrams)
  • Isothermal compressibility experiments
  • Rheology of surfactants in microfluidic channels

This provides a Simulation as a Service (SaaS) interface to our high performance computing platforms. Customisation for your organisation or implementation of new virtual experiments can be delivered as collaborative R&D projects​.​

​Applications

Replacing laboratory formulation chemistry experiments with computer simulation​.

​Benefits

  • Accessible through an easy to use iPad interface
  • Experiments can be run remotely
  • User friendly
  • Saves staff time learning to use HPC and simulation tools

To demo the Consumable Computing app or explore how it can be used to manage on-premises simulation – contact us 



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