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School of Chemical Sciences

AI Student Life

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Results from student experiments 

State of the Art Simulations (Year 3)

In Year 3, students on the Chemistry with Artificial Intelligence programme engage in a diverse blend of wet lab experiments, virtual laboratories, and computational simulations, reflecting the interdisciplinary nature of modern chemistry. A key highlight is their hands-on training with Maestro, the cutting-edge molecular modelling platform developed by Schrödinger Inc.

Maestro is widely regarded as a gold standard in computational chemistry and is currently used by all 20 of the world’s Top 20 pharmaceutical companies, including global leaders such as Novartis, Eli Lilly, Bristol Myers Squibb (BMS), and Takeda. Through guided workshops and project-based learning, students develop practical skills in molecular visualisation, quantum property prediction, and ligand–receptor docking.

As part of their coursework, students complete a focused drug discovery project, using the predictive power of Maestro to analyse known target proteins and propose novel ‘hit’ compounds based on structure–activity relationships. This experience gives students valuable insight into how AI-driven modelling is accelerating pharmaceutical research and discovery in real-world settings.

The integration of computational tools with lab-based training ensures graduates are well prepared for careers in cheminformatics, medicinal chemistry, data-driven R&D, and beyond.


Henkle

Chem with AI students visiting Henkle

Industry engagement (Year 4)

Our final year students participate in a semester-long challenge based learning module, Sustainable Processes. This module is co-taught with Bioprocessing, and students work in multidisciplinary teams on challenges identified by our industry partners - Alltech, GreenLab and Henkel. These challenges addressed a range of sustainability-related issues, such as supply chain insecurity, scope 3 emissions, and replacement of solvents (or gasses). In 2024, our students were invited for a site visit to Henkel, where they presented their solutions to the Analytical Solutions and R&D groups.


AI

Chem with AI students at the Hackathon

Programming Hackathon (Year 2)

In Year 2, Chemistry with Artificial Intelligence students begin formal programming training, completing one computing module per semester. In the Introduction to Programming module, students learn the fundamentals of Python 3, widely used in science, data analysis, and AI.

The module culminates in a hands-on Programming Hackathon, where students apply their skills to build real-world applications. Past projects have included games, chatbots, data dashboards, interactive quizzes, and scientific tools.

The hackathon fosters creativity, teamwork, and problem-solving, helping students see the direct relevance of coding in chemistry, data science, and future research careers.