MSc Materials and Molecular Modelling

Students gain detailed knowledge and skills in molecular modelling, focusing on the state-of-the art simulation techniques used to understand the molecular level properties that determine the macroscopic behaviour of matter in a wide range of applications, including catalysis, energy materials and nanotechnology.

Below are details about this programme for 2024 to 2025. Applications for September 2024 is open now. Further information about UCL graduate programmes can be found on the UCL Graduate degrees pageThis programme is also accredited by the RSC (Royal Society of Chemistry).

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There is a growing need by industry for staff trained in computational molecular sciences. This new multidisciplinary MSc will teach simulation tools used in a wide range of applications, including catalysis and energy materials, nanotechnology and drug design, and will provide transferable skills to other fields, thereby broadening employment prospects.


Degree Structure:

Properties of materials are important to all aspects of life. Students will gain detailed knowledge and skills in molecular modelling, focusing on the state-of-the art simulation techniques employed in materials research.

Students undertake modules to the value of 180 credits.

The programme consists of the following modules:

  • Research Project (90 credits)
  • Masters Literature Project (30 credits), which is linked to the area chosen for the research project
  • Transferable Skills for Scientists (15 credits) with a career development plan focus
  • Simulation Methods in Materials Chemistry (15 credits), where students are taught the background theory and algorithms employed in modelling materials and which is implemented in materials modelling software
  • Frontiers in Materials Modelling (15 credits), a unique module for this programme where students use several internationally leading materials modelling software
  • Topics in Modern Chemistry (15 credits) - this is a flexible module where students can select to study several topics from a broad range of topics in computational chemistry or other areas in chemistry. Students will therefore be able to create a bespoke module tailored uniquely to their own interests and research area. 

Please note that the list of modules given here is indicative. This information is published a long time in advance of enrolment and module content and availability is subject to change.

For all prospectus information: 



We offer an excellent education with high standards of teaching in an exciting but friendly environment. We foster a community feel to the department and you will mix throughout your time here with staff, undergraduate students and researchers.

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Postgraduate Taught Tutor
Dr Anna Roffey
Tel: 020 7679 5574

Programme Director
Prof. Scott Woodley
Tel: 020 7679 0315
Email: scott.woodley@ucl.ac.uk