Imperial College London

Professor Michael W. Finnis

Faculty of EngineeringDepartment of Materials

Chair in Materials Theory and Simulation



+44 (0)20 7594 6812m.finnis Website




2.27BRoyal School of MinesSouth Kensington Campus





Recent and current areas of research include:

i) Theory of the properties of point defects, diffusion and interfaces in alumina, pertinant to the growth of protective alumina scales.

ii) Calculation of  thermophysical properties of Ultra-High Temperature Ceramics and MAX phases to DFT accuracy

iii) The thermodynamics of hydrogen in metals and its role in  embrittlement.

Current research is funded by the EC and EPSRC.

Guest Lectures

The Van Horn Lectures (series of 3 on consecutive days), Case Western University Cleveland, Department of Engineering, 2012

Research Student Supervision

Angioletti-Uberti,S, Efficient atomistic approaches to thermodynamic quantities in solid-liquid equilibria

Cheah,WL, Theory and Simulation of ZrO2/SrTiO3 Multilayer Structures

Davey,TA, Thermodynamic assessments of the (Zr,Hf) carbides and borides revisited and informed by the calculation of defect energies in ZrC

Fernandez,AD, Structures and Processes in a Quantum Rattle

Frensch,K, Ab initio studies of defect concentrations and diffusion in metal oxides

Gandi,AN, Martensitic transformation in TiNi based shape memory alloys – A first principles study

Horton,RM, The Thermodynamics of Charged Defects in Ionic Crystals

Le Page,J, The transfer of energy between electrons and ions in solids

Liverani,C, Quantum Effects in Hydrogen Diffusion

Mottura,A, Analysis of atomic-scale phenomena and the rhenium effect in nickel superalloys

Poulou,A, A theoretical study of the stability of Zr-Al-C and Ti-Al-C MAX phases

Poulou,A, A theoretical study of the stability of Zr-Al-C and Ti-Al-C MAX phases

Race,CP, The modelling of radiation damage in metals using Ehrenfest dynamics

Sarsam,JE, Development and application of atomistic force fields for ionic materials

Yates,T, Effects of electronic temperature on the forces between atoms