Department of Chemistry

portrait of Professor Daan Frenkel ForMemRS

Professor Daan Frenkel ForMemRS

Trinity College

Groups: Frenkel group website, Theory

Telephone: 01223 336376
             01223 336341

E-mail: df246@cam.ac.uk

The research in my research group focuses on the numerical exploration of routes to design novel, self-assembling structures and materials. In particular, I am interested in the possibilities that bio-molecular recognition and motor action offer to create complex, nano-structured materials.

The main aspects of the research are

  • Develop novel Monte Carlo techniques to predict the thermodynamic stability of complex structures (e.g. DNA-coated colloids – fig 1).
  • Explore novel dynamical simulation techniques to predict the rate at which novel structures form from a meta-stable parent phase (e.g. crystal nucleation – fig 2).
  • Quantify the disorder in granular packings.
  • Coarse-grained models for molecular motors.

Fig.1. Snapshot of condensation of a low-density (left) to high-density (right) system of colloids (shown as red and green spheres) linked by DNA coils (shown as small spheres in left snapshot).

  

Fig.2. Heterogeneous crystal nucleation on disordered substrates is facilitated by wetting and capillary condensation.

Publications

Phase diagram of Hertzian spheres
JC Pamies, A Cacciuto, D Frenkel - The Journal of Chemical Physics (2009) 131, 044514
(DOI: 10.1063/1.3186742)
Materials science: Soft particles feel the squeeze
D Frenkel - Nature (2009) 460, 465
(DOI: 10.1038/460465a)
Waterlike thermodynamic anomalies in a repulsive-shoulder potential system
NV Gribova, YD Fomin, D Frenkel, VN Ryzhov - Physical Review E - Statistical, Nonlinear, and Soft Matter Physics (2009) 79, 051202
(DOI: 10.1103/PhysRevE.79.051202)
Homogeneous bubble nucleation driven by local hot spots: A molecular dynamics study
ZJ Wang, C Valeriani, D Frenkel - J Phys Chem B (2009) 113, 3776
(DOI: 10.1021/jp807727p)
Geometrical frustration: a study of four-dimensional hard spheres.
JA van Meel, D Frenkel, P Charbonneau - Phys Rev E Stat Nonlin Soft Matter Phys (2009) 79, 030201
(DOI: 10.1103/PhysRevE.79.030201)
Erratum: phase diagram of Hertzian spheres (Journal of Chemical Physics (2009) 131 (044514))
JC P mies, A Cacciuto, D Frenkel - Journal of Chemical Physics (2009) 131
Comparison of simple perturbation-theory estimates for the liquid-solid and the liquid-vapor interfacial free energies of Lennard-Jones systems (vol 33, pg 1023, 2007)
C Valeriani, ZJ Wang, D Frenkel - MOL SIMULAT (2009) 35, 429
(DOI: 10.1080/08927020802209917)
Out-of-equilibrium processes in suspensions of oppositely charged colloids: liquid-to-crystal nucleation and gel formation
E Sanz, C Valeriani, T Vissers, A Fortini, ME Leunissen, A van Blaaderen, D Frenkel, M Dijkstra - Journal of Physics: Condensed Matter (2008) 20, 494247
(DOI: 10.1088/0953-8984/20/49/494247)
Multiple occupancy crystals formed by purely repulsive soft particles
BM Mladek, P Charbonneau, CN Likos, D Frenkel, G Kahl - Journal of Physics: Condensed Matter (2008) 20, 494245
(DOI: 10.1088/0953-8984/20/49/494245)
Disordered Flanks Prevent Peptide Aggregation
S Abeln, D Frenkel - PLoS Comput Biol (2008) 4, e1000241
(DOI: 10.1371/journal.pcbi.1000241)


General


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