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Atomistic Simulation @ Cambridge

Department of Materials Science & Metallurgy

Studying at Cambridge


Our Focus

Paul Bristowe's research focuses on the computer modelling of crystalline and amorphous materials at the microscopic level. Of primary interest is the application and development of classical and quantum mechanical methodologies to gain insight into the fundamental characteristics of bulk materials, thin-films, surfaces and defects and how they influence the physical properties of the material. Most types of defect are under consideration including grain boundaries, interfaces and impurities and the materials being simulated range from semiconductors and metals to ceramics and framework structures.

Correlation between theory and experiment is of major interest as is the comparison of results obtained using different methodologies. Typical approaches in current or recent use include pair potentials, tight-binding and total energy pseudopotential calculations.

He is a member of the United Kingdom Car-Parrinello Consortium (UKCP) which focuses on first principles simulations and also has links with the condensed matter theory group (TCM) at the Cavendish Laboratory. He is also a member of the Lennard-Jones Centre for the Development of Computational Methods for Materials Modelling at Cambridge and the Psi-k network for the advancement of first-principles computational materials science.


Sources of Support

Royal SocietyUKCP
Rolls RoyceEuropean Comission
EPSRCCambridge Trust
ArcherWinton Program - Physics of Sustainability