Digital Chemistry: AI, Automation and Data Science MSc

Course overview

Harness the power of AI, data science and automation to accelerate chemical discovery and solve global challenges.

In an era dominated by technological advancements, the relevance of digital chemistry, AI and automation cannot be overstated. Together, digital chemistry and automation enable researchers to explore and understand complex science more efficiently than ever before. Our course emphasises the pivotal role of machine learning, data science and automated experimentation in the future of industrial chemical research, effectively preparing you for a career across a wide range of sectors such as pharmaceuticals, materials and chemical technology.

You'll learn how to collect, analyse and exploit large chemical datasets, and how these can be integrated with your chemical knowledge and AI-driven modelling approaches to solve real-world challenges. This dual focus on data generation and interpretation will provide you with the skills required to fully harness the potential of digital chemistry, both computationally and applied in a laboratory setting.

At Leeds, you'll be immersed in an active digital chemistry research environment that spans AI-guided optimisation, autonomous experimentation and advanced data analytics. You'll have the opportunity to carry out an original independent research project which aligns with your interests and career aspirations, ranging from the discovery of new drugs, materials and catalysts to the development of efficient and sustainable manufacturing processes, including predictive chemistry.

During the Digital Chemistry: AI, Automation and Data Science MSc course, you'll learn how to seamlessly integrate chemistry with advanced digital technologies, providing you with the knowledge and skills needed for a career within the modern chemical sciences industries. You'll also have the opportunity to develop a range of additional key transferable skills throughout the course, including problem solving, critical thinking, project planning and scientific communication.

Why study at Leeds:

• Learn with research-led expertise: Your course is shaped by globally renowned research from the School of Chemistry and the School of Chemical and Process Engineering, ensuring your learning reflects the latest advances in AI-enabled and automated chemistry.
• Access specialist facilities: You’ll benefit from specialist facilities that support hands-on learning, including flow chemistry platforms, liquid handling robotics and state-of-the-art automated reactors developed at Leeds within the Institute of Process Research and Development.
• Guaranteed Work Experience: You’ll have the opportunity to complete an eight-week virtual work experience, working on a project aligned with your academic discipline and partnered with a relevant company. As well as giving you the opportunity to build key industry connections, you’ll also develop invaluable professional and practical skills that are highly valued by employers.
• Apply your learning through a research project: You’ll put theory into practice by completing an individual research project focused on designing and applying new digital chemistry and AI-driven approaches, gaining real experience with the latest technologies in an active research environment.
• Build advanced, industry-relevant expertise: You’ll develop knowledge and skills in applying AI, automation and data science to industry challenges, such as discovering new functional materials, designing sustainable processes and advancing predictive chemistry.

Explore Leeds

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You can get a feel for what it's really like to live, learn and belong at the University of Leeds – all from the comfort of home.

Course details and modules

This programme builds the foundational concepts underpinning digital chemistry, AI and automation technologies, complemented by an introduction to basic programming for data handling, processing and visualisation.

Alongside advanced chemistry topics, you'll learn how automated reactor platforms, AI-driven modelling and digital chemistry approaches are designed, and how these innovative technologies are being applied to solve real-world challenges across the chemical sciences.

Throughout the course, you'll also develop advanced research skills and gain hands-on experience with digital chemistry and data science enabled methods in the laboratory. In addition, selection of optional modules and topics within the advanced topics modules will allow you to build specialist knowledge in areas that align with your interests and career aspirations.

By the end of your study, you'll have learnt how to integrate chemistry, data science, machine learning and automation technologies, providing you with the key technical skills to thrive in the rapidly evolving landscape of industrial chemical research.

Course structure

The list shown below represents typical modules/components studied and may change from time to time. Read more in our terms and conditions.

For more information and a full list of typical modules available on this course, please read Digital Chemistry: AI, Automation and Data Science MSc in the course catalogue

Compulsory modules

Advanced Practical, Professional and Research Skills for Digital Chemistry – 30 credits

Build a comprehensive set of skills essential for success in both research projects and your future careers. Focusing on practical and analytical skills, the module emphasises hands-on training to enhance your proficiency in digital and automated chemistry applications. Additionally, the incorporation of transferable professional skills ensures that you develop a well-rounded skill set, fostering adaptability for diverse career paths within the field of digital chemistry.

Digital and Experimental Skills for MSc students – 15 credits

Develop core skills to efficiently handle and interpret large datasets to identify trends and reach meaningful conclusions. Using examples from across chemistry, you'll learn how to use Python programming to extract, process and visualise data efficiently and concisely. You'll apply your skills to explore real digital chemistry datasets and extract key scientific information. You may also choose an experimental skills pathway, which provides more training with hands-on laboratory work.

Machine Learning for Process Development and Optimisation – 15 credits

In a world facing environmental challenges and the need for resource efficiency, process optimisation has never been more critical. Autonomous systems are revolutionising industries by enabling smarter, more sustainable decision making through advanced data-driven approaches. Throughout the module, you’ll explore key optimisation strategies, including Design of Experiments (DoE) and machine learning, to enhance the performance of complex processes. Through a combination of theoretical insights and practical applications, you’ll develop the digital expertise to critically evaluate and analyse cutting-edge technologies. Workshops will give you opportunities to engage with real-world examples, equipping you to apply these skills effectively in industry. By mastering these methods, you’ll be prepared to address pressing global challenges and lead in the development of innovative, sustainable solutions.

Automation and Enabling Technologies – 15 credits

Innovative technologies are transforming how data are collected, and experiments are conducted, empowering scientists to achieve precision and efficiency in their workflows. This module introduces you to the cutting-edge technologies enabling autonomous collection of large datasets, focusing on their applications across diverse scientific challenges. You will learn to design and implement experimental platforms tailored to specific needs, combining theoretical insights with practical experience. Through hands-on workshops and interactive examples, you will acquire the skills to leverage these technologies effectively, preparing you to tackle complex scientific problems in a rapidly evolving research landscape.

Artificial Intelligence for Chemistry – 15 credits

The aim of this module is to teach you the fundamentals of AI and Machine Learning (ML) and how to apply them to chemical problems. The topics covered include machine learning algorithms, AI architectures and potential pitfalls when applying them. You will also be instructed in methods to represent chemical information in machine format. You will carry these out using Python programming language and standard packages for AI and machine learning.

Digital Chemistry Research Project – 60 credits

The focal point of the MSc is the digital chemistry research project where you’ll gain an immersive and hands-on experience in the cutting-edge field of digital and automated chemistry. You'll be supported to identify a project that motivates you, engaging in original research that leverages combinations of computational techniques, algorithms and advanced software tools to explore complex chemical systems. You'll have access to state-of-the-art research facilities at Leeds to work on original research alongside PhD students and experienced postdoctoral researchers.

This project will equip you with the independent research and critical thinking skills required for your future career. The module also encourages innovation in applying digital methodologies to address real-world chemical challenges in areas such as drug discovery, materials chemistry and sustainable process development.

Optional modules

You’ll choose from a range of optional modules to tailor the course to your interests and career goals. Typical options include:

Renewable Materials for a Sustainable Future – 15 credits

You’ll study and create new sustainable materials like thermoplastics, ‘green’ polymers, graphene and graphene oxides and find out how they can be used in day-to-day consumer products and advanced technologies. Working with a team, you’ll build your knowledge of renewable materials in a series of research-led interactive workshops. You’ll also analyse the impact of materials on our environment and learn how design choices can be made to reduce it.

Green Chemistry for Sustainable Processes – 15 credits

Delve into the twelve key principles of green chemistry and discover the current sustainability limitations of chemical manufacturing and chemical feedstock. You’ll analyse the carbon footprint of feedstock and the efficiency of purification, measuring its environmental impact. In the lab, you’ll learn carbon dioxide sequestration techniques for CO2 producing chemical processes.

Modern Drug Discovery – 15 credits

Study the chemical and pharmacological principles and methodologies that underpin the entire small molecule drug discovery process. You’ll explore scientific milestones enabling disease-based and target-based drug discovery, beginning with the identification and validations of potential drug targets. The iterative process of drug discovery presents major opportunities for digital and automated chemistry to streamline the development and optimisation of lead compounds.

Advanced Topics in Chemistry (Examined S1) – 15 credits

Develop a broad understanding across different areas of advanced chemistry. You’ll select topics to study in-depth from a range of themes that are of current research/commercial interest. You’ll apply your knowledge to critically evaluate literature, building problem-solving skills that will transfer into both further academic study and working in industry.

Advanced Topics in Chemistry (Examined S2) – 15 credits

Building on your foundational chemistry knowledge, this module will further explore some of the most cutting-edge and state-of-the-art research topics relevant to modern chemistry. You’ll select from a range of topics based on your interests and learn how to combine your advanced knowledge of multiple areas simultaneously to solve multidisciplinary problems.

For more information and a full list of typical modules available on this course, please read Digital Chemistry: AI, Automation and Data Science MSc in the course catalogue

Enhance Your Academic and Subject-Specific Language

As part of your course, you will have access to the Professional and Academic Communication module that provides valuable insights into studying a postgraduate degree in the UK while helping you develop your academic and subject-specific vocabulary.

Through a combination of in-person workshops and independent online study, you will explore the use of technology - such as translation tools and generative AI - to support effective communication. You will also build the language and literacy skills necessary to become a more confident and capable communicator throughout your studies.

Learning and teaching

We offer a comprehensive postgraduate learning experience, blending various teaching methods with independent learning. Integrating research into teaching is a priority, ensuring you have regular interaction with leading experts in their fields. The course combines practical learning and academic theory through lectures, tutorials, seminars, small group workshops, laboratory sessions, and independent research projects.

You'll also engage with student-led activities with your peers to enhance your learning through literature presentations, in-class discussions and group work. Face-to-face delivery will be complemented with recorded lectures for revision, and digital resources will be shared for supplementary learning. Throughout the course, your personal tutor will be available to provide regular support for academic, pastoral and career queries.

Active research environments

Many researchers in the School of Chemistry are members of the University of Leeds’ leading interdisciplinary research centres:

• The Astbury Centre for Structural Molecular Biology focuses on understanding life in molecular detail.
• The Institute of Process Research and Development is made up of experts from the fields of process chemistry and chemical engineering who work closely with the chemical industries to develop exciting new technologies.
• The Priestley Centre for Climate Futures aims to further our physical, technological, economic and social understanding of climate change with strategies for mitigation and adaptation.
• The Bragg Centre for Materials Research brings together scientists and engineers to discover, create and design new materials.

We are also active partners in UK national research centres, including the Henry Royce Institute for advanced research and innovation and the Rosalind Franklin Institute, developing new technologies to tackle important health research challenges.

Companies that have spun out of the School of Chemistry include Keracol (natural materials for sustainable consumer products), C-Capture (chemical processes for capture of carbon dioxide), LUNAC Therapeutics (anticoagulant therapies) and CoreTech Sciences (AI-driven labs).

Specialist facilities

We offer excellent facilities and technical support with a range of dedicated equipment for digital chemistry research. These include automated and self-optimising continuous flow platforms with integrated process analytical technologies; a range of liquid handling robotics for reaction screening and enzyme assays; industry-standard scale-up facilities with digital twin integration.

The chemistry building also houses computer clusters, where you can process and model your data under expert supervision. We also provide access to dedicated software for experimental design, and our own bespoke reactor control software and machine learning algorithms.

Programme team

The wider programme team are actively applying digital and automated chemistry workflows within interdisciplinary research centres to address global challenges such as sustainability and healthcare.

On this course, you’ll be taught by our expert academics, from lecturers through to professors. You may also be taught by industry professionals with years of experience, as well as trained postgraduate researchers, connecting you to some of the brightest minds on campus.

Assessment

The wide range of continual assessment formats will allow you to improve your generic skills and to hone your ability to solve problems. As part of the continual assessment of modules, you'll give a wide range of oral presentations; prepare short articles, essays, and research reports; perform computational exercises; and undertake group-based problem-solving activities. Your research project will be assessed through your practical work and a written extended research report.

Applying

Entry requirements

A bachelor degree with a 2:1 (hons) in chemistry, medicinal chemistry, applied or industrial chemistry, biochemistry, chemical engineering or another subject that includes a significant chemistry component.

We also encourage you to apply if you have a 2:2 (hons) in one of the subjects listed above, relevant work experience or professional qualifications. We take a flexible and inclusive approach and consider every application on its individual merits.

International

We accept a range of international equivalent qualifications. For more information please contact the Admissions Team.

English language requirements

IELTS 6.5 overall, with no less than 6.0 in any component. For other English qualifications, read English language equivalent qualifications.

Improve your English

International students who do not meet the English language requirements for this programme may be able to study our postgraduate pre-sessional English course, to help improve your English language level.

This pre-sessional course is designed with a progression route to your degree programme and you’ll learn academic English in the context of your subject area. To find out more, read Language for Science (6 weeks) and Language for Science: General Science (10 weeks). 

We also offer online pre-sessionals alongside our on-campus pre-sessionals. Find out more about our six week online pre-sessional and our 10 week online pre-sessional. 

You can also study pre-sessionals for longer periods – read about our postgraduate pre-sessional English courses.

How to apply

Applicants are encouraged to apply as early as possible.

Before submitting your application, please read our How to Apply page for full details of the supporting documents required.

Application deadlines

30 July 2027 – International applicants

10 September 2027 – UK applicants

Click below to access the University’s online application system and learn more about the application process.

If you have any questions about applying, our Admissions Team will be happy to help.

Read about visas, immigration and other information in International students. We recommend that international students apply as early as possible to ensure that they have time to apply for their visa.

Admissions policy

University of Leeds Admissions Policy 2027

This course is taught by

School of Chemistry

Contact us

School of Chemistry Admissions Team

Email: chem.msc@leeds.ac.uk

Fees

UK: £14,700 (Total)

International: £33,800 (Total)

Read more about paying fees and charges.

For fees information for international taught postgraduate students, read Masters fees.

Additional cost information

The School of Chemistry will provide you with personal protective equipment and laboratory notebooks you’ll need to undertake laboratory work. You’ll also have access to a vast supply of books, academic journals and periodicals from the university libraries however you may wish to purchase some books that are recommended on the course.

This course requires work using a range of relevant software which is provided by the university. We also use a blended learning model where you’ll need to access course materials and video conferences using a computer or mobile device (e.g. laptop, tablet, smartphone).

You’ll have access to the extensive IT facilities on campus including 24/7 computer clusters with everything you need to complete your work however you may wish to purchase your own computer.

There may be additional costs related to your course or programme of study, or related to being a student at the University of Leeds. Read more on our living costs and budgeting page.

Scholarships and financial support

If you have the talent and drive, we want you to be able to study with us, whatever your financial circumstances. There may be help for students in the form of loans and non-repayable grants from the University and from the government. Learn more about Masters funding. 

Scholarships are also available to help fund your Masters. Find out more and check your eligibility below:

Career opportunities

Companies from different sectors are investing heavily in digital chemistry technologies that have the potential to transform chemical/process discovery and development. Therefore, there is a growing demand for specialists who can integrate chemistry, data science and automation expertise to enable adoption of these new technologies within industry. The skills and knowledge you'll develop on this MSc will equip you with these industry-relevant expertise and will provide career opportunities in a variety of roles such as:

• Chemical Data Scientist/Analyst
• Automation Specialist
• Machine Learning Specialist
• Computational Chemist

Across a wide range of sectors, including:

• Pharmaceutical
• Agrochemical
• Materials
• Catalysis
• Chemical technology
• Data science
• Instrumentation
• Contract research

Studying at Leeds also gives your degree strong employer recognition. The University of Leeds is consistently one of the most targeted universities by leading graduate employers, helping you stand out in a competitive job market.

Careers support

At Leeds, we help you to prepare for your future from day one. We have a wide range of careers resources - including our award-winning Employability Team who are in contact with many employers around the country and advertise placements and jobs. They are also on hand to provide guidance and support, ensuring you are prepared to take your next steps after graduation and get you where you want to be.

• Qualified careers consultants - gain guidance, support and information to help you choose a career path. You’ll have access to 1-2-1 meetings and events to learn how to find employers to target, write your CV and cover letter, research before interviews and enhance your interview skills.
• Employability and networking events - we run a full range of events, including careers fairs in specialist areas and across broader industries, with employers who are actively recruiting for roles, giving you the opportunity to network with industry sponsors. 
• Employability skills training - we help you build the skills employers really value. Throughout the course, you’ll develop key transferable skills such as communication, teamwork and problem-solving, helping you feel confident and work‑ready when you graduate.
• MyCareer system - on your course and after you graduate, you’ll have access to a dedicated careers portal where you can book appointments with our team, get information on careers and see job vacancies and upcoming events.
• Joblink - a student job shop offered by our Leeds University Union (LUU), designed to link students with local employers who provide rewarding work experience. LUU also offers volunteering opportunities and over 300 clubs and societies to get involved in.

Find out more at the Careers website.

Work placements and industry experience

While studying at Leeds, you’ll have the opportunity to complete an eight-week online work experience programme, working on a project aligned with your academic discipline in partnership with a relevant organisation.

You’ll develop key professional skills and gain valuable insight into your chosen field, helping to solve a real business challenge based on a live company brief.

This experience will enhance your CV, helping you stand out in the competitive graduate jobs market and improving your prospects of securing the career you want.

Benefits of the virtual work experience:

• Fully online and designed to fit around your studies.
• Opportunities to build your professional network.
• Gain valuable insight and consultancy experience with a UK or international organisation, working on a time limited brief.
• Collaborate in multidisciplinary teams to tackle real business challenges.
• Apply your learning in practice and develop hands-on skills.
• Strengthen your employability and career prospects.
• Build confidence, make new connections and explore your future career options.

Throughout the eight-week programme, you’ll be supported by an academic tutor who will meet regularly with your group. You’ll also receive guidance from the employability team at every stage.

We’ll provide tailored careers support sessions to help you develop professional behaviours and showcase your skills to employers. On completion, you’ll receive a reference letter from Leeds recognising the skills and experience you have gained.

When you begin your MSc, the employability team will introduce the scheme during a lecture in your first month, answer any questions and explain how to register.