Organic Crystal Research : Engage e-Infrastructure Case Study

The Engage project promotes the greater engagement of
researchers with the UK's e-Infrastructure. In this video, computational chemists at University College London, describe how they are using new e-Science techniques to research the behaviour of organic compounds. By
using e-Science, the UCL researchers are quickly and accurately finding polymorphs (different structures) of compounds which effect how the compound behaves. This work is particularly important for drug research.
The Engage Initiative, with the help of OMII-UK expertise, has updated and upgraded the computer science behind the simulations, meaning that much larger calculations can be conducted, making the research even more
interesting to the pharmaceutical industry. Engage is managed by OMII-UK, the UK's organisation for developing and sustaining e-Research software, and the National Grid Service, a UK provider of e-Infrastructure.

Category:

Education

Tags:

• e-infrastructure
• jisc
• e-science
• chemistry
• polymorphs
• ucl
• OMII-UK
• NGS