What We Do
The Chemistry and Materials Research team at the Hartree Centre is committed to challenge-led applied research and innovation. As leaders in atomistic and mesocale modelling, we accelerate R&D for a range of leading companies across industry sectors from home and personal care to ceramics, energetic materials, alloys, agrichemicals, polymers and lubricants.
Combining our fundamental understanding of chemical systems with expertise across the Hartree Centre (software development, high performance computing infrastructure, cloud computing, machine learning and artificial intelligence), we apply state-of-the art computer-aided formulation and computational chemistry methods to develop integrated data analytics and modelling and simulation capabilities that:
- accelerate the discovery of new candidate chemical systems using rapid computational screening
- improve understanding of chemical systems to build better solutions
Our ongoing collaboration with industry partners and IBM Research has seen the development of several additional aiming to accelerate existing R&D processes, enable development for sustainability and transform product design.
What We Offer
To help our industry partners tackle challenges faced within their organisation, we develop new or improved models and codes for simulation or analytics, ensuring that the solutions we offer are validated, reliable and accessible for staff across your business. Our close collaboration with industry keeps us on top of the latest developments in chemistry and materials, enabling us to identify tools and methods that best address emerging challenges in industry.
In addition to solutions that accelerate R&D, organisations working with us can also benefit from increased fundamental scientific understanding and new or enhanced capabilities. On top of these, we also offer more formal training opportunities aimed at specific sectors.