Dr Edwin Flikkema

Dr Edwin Flikkema


Contact Details


Born in Haren in The Netherlands Dr Edwin Flikkema did his undergraduate studies in Theoretical Physics at the University of Groningen. He obtained his PhD at the department of Chemistry of the same university in 2002, on the subject of polymer simulation. Edwin Flikkema then went to the Delft University of Technology in The Netherlands to do a post-doc on the subject of computational modelling of silica clusters. From 2005 to 2007 he stayed in Cambridge (UK) on a Marie Curie Fellowship, working on the subject of energy landscapes in the group of Prof David J. Wales. After a brief stay at the University of Barcelona Edwin Flikkema joined the Department of Physics as an RCUK fellow in 2008. He has been a lecturer since 2012.



Having initially worked in polymer simulation, for the past few years Dr Flikkemas main interest has been in the area of theoretical chemistry and computational modelling of oxide systems using a variety of computational methods: global optimisation methods, energy landscape methods, Monte Carlo simulation and Molecular Dynamics. More specifically, he has worked on finding the optimal geometrical configuration of nanoscale silica clusters (based on the energy calculated via Density Functional Theory). More recent interests include hydroxylated silica clusters and two-dimensional foams.

Research Groups


Hydroxylation of silica nanoclusters (SiO2)M(H2O)N, M = 4, 8, 16, 24: stability and structural trendsJelfs, K. E., Flikkema, E. & Bromley, S. T. 2013 In : Physical Chemistry Chemical Physics.15, 47, p. 20438-20443
Structure and energetics of hydroxylated silica clusters, (SiO2)M(H2O)N, M=8,16 and N=1-4: A global optimisation studyFlikkema, E., Jelfs, K. E. & Bromley, S. T. 2012 In : Chemical Physics Letters.554, p. 117-1226 p.
Evidence for Atomic Mixing via Multiple Intermediates during the Dynamic Interconversion of Silicate Oligomers in SolutionJelfs, K. E., Flikkema, E. & Bromley, S. T. 2012 In : Chemical Communications.48, 1, p. 46-483 p.
Using visualisation techniques and Molecular Dynamics to study atoms diffusing in glassFlikkema, E., Zhou, Z. & Greaves, N. 2011 Eurographics 2011 proceedings.Eurographics, p. 47-482 p.
Molecular Dynamics Study of Ion Diffusion in Glassy MaterialsFlikkema, E., Greaves, N. & Zhou, Z. 2011
Global Optimization of (hydroxylated) Silica ClustersFlikkema, E. & Bromley, S. 2011
Computational studies of silicate materials: clusters and bulkFlikkema, E. 2010
The minimal perimeter for N confined deformable bubbles of equal areaCox, S. J. & Flikkema, E. 2010 In : Electronic Journal of Combinatorics.17, R45
Energy landscapes and basin sampling of bulk mixed oxide systemsFlikkema, E. & Wales, D. J. 2009
Defective to fully coordinated crossover in complex directionally bonded nanoclustersFlikkema, E. & Bromley, S. T. 2009 In : Physical Review B.80, 3, 6 p., 035402
Graph-based global optimisation of fully-coordinated silica clustersFlikkema, E. 2009
Exploring Low-energy Fully-coordinated (SiO2)N Nano-clusters with Graph-based samplingFlikkema, E. & Bromley, S. T. 2009
Graph-based global optimization of fully-coordinated cluster geometriesFlikkema, E. & Bromley, S. T. 2009
Graph-based sampling of fully-coordinated silica (SiO2)N clustersFlikkema, E. & Bromley, S. T. 2008
Energy landscapes and thermodynamics of bulk mixed oxide materialsFlikkema, E. 2008
Molecular dynamics-based approach to study the anisotropic self-diffusion of molecules in porous materials with multiple cage types: Application to H-2 in losodVan den Berg, A. W. C., Flikkema, E., Lems, S., Bromley, S. T. & Jansen, J. C. 2006 In : Journal of Physical Chemistry B.110, 1, p. 501-5066 p.
Columnar-to-disk structural transition in nanoscale (SiO2)(N) clustersBromley, S. T. & Flikkema, E. 2005 In : Physical Review Letters.95, 18, 4 p., 185505
Dedicated global optimization search for ground state silica nanoclusters: (SiO2)(N) (N=6-12)Flikkema, E. & Bromley, S. T. 2004 In : Journal of Physical Chemistry B.108, 28, p. 9638-96458 p.
A new interatomic potential for nanoscale silicaFlikkema, E. & Bromley, S. T. 2003 In : Chemical Physics Letters.378, 5-6, p. 622-6298 p.