Close

We use cookies to improve your experience of our website. Privacy Policy

Skip to main content

Materials Research Institute

Search
Menu

Materials Modelling

image: azif

Our simulation capability includes numerical, Monte-Carlo and molecular-dynamics methods, enabling new applications within cross-College collaborations. MRI staff are members of the Thomas Young Centre, an interdisciplinary community of London research groups working to address challenges of society and industry through materials modelling and the theory and simulation of materials.

Key Publications

  • Goodwin AL, Calleja M, Conterio MJ, Dove MT, Evans JS, Keen DA, Peters L and Tucker MG (2008). Colossal positive and negative thermal expansion in the framework material Ag3[Co(CN)6]. Science  vol. 319, (5864) 794-797.10.1126/science.1151442
  • Bolmatov D, Brazhkin VV and Trachenko K (2013). Thermodynamic behavior of supercritical matter. Nature Communications 4, 2331 (2013)  10.1038/ncomms3331
  • Barbieri E and Petrinic N (2013). Three-dimensional crack propagation with distance-based discontinuous kernels in meshfree methods. Springer Berlin Heidelberg  Computational Mechanics  vol. n/a, 1-18.10.1007/s00466-013-0910-3