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The Lennard-Jones Centre

The University of Cambridge Centre for the Development of Computational Methods for Materials Modelling

        Sir John Lennard-Jones      

This center connects researchers in all departments within Cambridge who have an active interest in materials modelling. We have a particular strength in method development, the faculty members pioneer novel algorithms for the modelling of quantum mechanical systems, for the exploration of configurational landscapes, non-equilibrium dynamics, plasticity of solids and multi-phase flow. Across the university, we deliver a curriculum in materials modelling that enables our postgraduate students to become experts in using state-of-the-art computational tools and to push the boundaries of research in computational efficiency and computability of material properties.

We take our name from a pioneer of computational modelling, Sir John Lennard-Jones, who was instrumental in building one of the first mechanical and soon after electronic computers at Cambridge University. We are part of the JC Maxwell node of CECAM, the community of atomistic modelling researchers in Europe.

Centre for Doctoral Training

We are closely associated with the "EPSRC Centre for Doctoral Training in the Computational methods for materials science". This 4-year graduate programme offers courses and taster mini-projects in its first year, followed by a regular research-based training leading to a PhD in one of the participating departments.

Click here for further information. 

Masterclasses in Ferroelectrics and The Modern Theory of Polarisation

The Lennard-Jones Centre is pleased to announce a visit by Professor Nicola Spaldin, ETH, Zürich, on Thursday 12th and Friday 13th May 2016. She has generously agreed to give a series of Masterclass lectures which will provide a unique opportunity for all LJC students and post-docs to learn about computational methods in complex solids and multiferroics.

Masterclass I - Ferroelectrics - Thursday 12th May 2016 - 2:30pmSmall Lecture Theatre, Cavendish Laboratory

Masterclass II - The Modern Theory of Polarization - Friday 13th May 2016 - 11amSmall Lecture Theatre, Cavendish Laboratory

Masterclass III - How to Calculate Ferroelectric Polarization - Friday 13th May 2016 - 3pm - Small Lecture Theatre, Cavendish Laboratory

Click here for further information.

Advanced Computation for Drug Discovery

On 12th May 2016, the Maxwell Centre at the Cavendish Laboratory hosts a
series of talks describing the use of computational methods in the drug
discovery process. 

3:45pm Erik Lindahl "Small & Large Challenges for Molecular Simulation in Drug Discovery"
4:45pm Matthew Segall: "Practical Application of Simulation in the Drug Discovery Industry"
5:15pm Daniel Cole: "Quantum mechanically derived biological force fields"

High performance computing 

Nick Romero recently gave a talk about accessing very large scale computing facilities in the U.S. His slides are here.