MSc: Molecular Modelling

Engdoc Posgraduate Study

There is a growing need by industry for staff trained in computational molecular sciences. This new one year full-time multidisciplinary MSc will teach simulation tools that are common to a wide range of applications, including catalysis and energy materials, nanotechnology and drug design, and will provide skills that are widely transferable to other fields where modelling and simulation are important, thereby broadening employment prospects.

Programme Structure

The course begins towards the end of September each year and finishes late the following September in time to allow progress to MPhil/PhD degree courses.

The MSc in molecular modelling comprises:

  • Taught Courses 75 credits)
  • Literature Project (15 credits)
  • Research Project (90 credits)

Students attend three core modules and one optional module. The 'Course Unit' tab lists the details on each module.

Students take all of the core units and one of the optional units (each optional unit is worth 15 credits). Course descriptions are shown below.


Simulation Methods in Materials Chemistry (30 credits)

This is an intensive 30-lecture course taught over five weeks. The course will discuss the background to computer modelling techniques used in materials simulations, including Interatomic Potential-based Methods (Energy Minimisation, Molecular Dynamics, Monte Carlo), Ab initio methods (Hartree Fock, Density Functional Theory) and properties that we can obtain from simulations.

Assessment is by in-course examination.

In tandem with the lecture course, the students will carry out a Simulation Project, which reinforces the taught subjects through hands-on simulations.

Assessment is by coursework and a group poster essay.

Mastering Entrepreneurship (15 credits)

The aim of the course is to give an understanding of:

  • the criteria for success of a new business - personal, market & technical
  • business planning and securing the necessary resources - including finance - for the new business

The course will draw heavily for illustration and illumination on a range of case studies mostly from high-technology ventures. These fascinating case studies best illustrate the challenges of creating high potential enterprises.

Numerical Methods in Chemistry (15 credits)

To (re-) introduce scientific mathematical analysis in a single-course and to inspire the use of mathematical solutions in scientific analysis.

Assessment: Approximately 10 tests taken as the course progresses


Topics in quantum mechanics

Principles of drug design

Electronic structure methods for materials modelling

Molecular physics

Fundamentals in Biomolecular structure

Information on the application procedure is included below.


A minimum of a second-class Bachelor's degree in a science or engineering discipline from a UK university or an overseas qualification of an equivalent standard.

Other applicants will be considered if they have relevant postgraduate experience in a science related field. The MSc Course Organiser, Dr Ricardo Grau-Crespo will advise on this matter. 

The UCL pages containing advice for international students can be found on the UCL international students page.

Fees and Funding

Information on fees can be found on the UCL fees page. UCL offers some scholarships for graduate studies, the details of which can be found on the UCL scholarships page.

Application procedure

You may choose to apply online or download application materials; for details visit www.ucl.ac.uk/gradapps

The deadline for applications is early August for September entry. Students are advised to apply as early as possible due to competition for places. Those applying for scholarship funding (particularly overseas applicants) should take note of application deadlines.

Information on all aspects of studying at UCL as a postgraduate can be found here and information specifically for international students thinking of studying at UCL can be found here.

For any further information regarding the MSc in Molecular Modelling please complete the following form, outlining your request using the Additional Information box.

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