The Power of Materials Modelling for Industrial Applications
29 Sep 2022



A two day workshop and networking event on 8th-9th November in Manchester


​​​​A hybrid multiscale modelling calculation with ChemShell. (Credit: Thomas Keal​)​​​​​​​


​​This introductory free event is to be held at the prestigious Henry Royce Institute in Manchester and is organised by STFC Scientific Computing,​ CCP5 and CCP5++ network, the Henry Royce Institute​, and the Atomic Weapons Establishment (AWE)

This introductory event is targeted at a wide range of attendees from across industries. The objectives of the meeting are to showcase the predictive capabilities of molecular modelling techniques and to discuss the current and potential opportunities that simulation methodologies can offer for materials discovery and process optimization in an industrial context.

The meeting will be held over two days with the first day being devoted to showcasing successful examples of the integration of simulations machine learning and experiments taken from a wide range of industrial applications. Examples will be drawn from across the full breadth of simulation methodologies spanning from ab initio through atomistic to mesoscopic techniques highlighting how such approaches can be effectively applied to address scientific questions of direct importance to industry and provide computationally derived experimental data and materials insight.

The second day will provide an opportunity for attendees to meet with experts in the field and discuss novel ways in which simulation software can be applied to solve real world problems and explore the current barriers preventing a broader adoption of such techniques in an industrial context. Attendees are encouraged to bring along potential problems/challenges for discussion. The discussion will also look to explore available mechanisms to enable public-private collaborations and software development opportunities in the area of materials simulations.

You can find the full list of speakers, and details on their presentations, here

Register here to reserve your place at the workshop.

See more on how STFC is addressing industry challenges with Materials Modelling:​

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Contact: O'Sullivan, Marion (STFC,RAL,SC)