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

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, ARTN 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, ARTN 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)
Two-step vapor-crystal nucleation close below triple point.
JA van Meel, AJ Page, RP Sear, D Frenkel - Journal of Chemical Physics (2008) 129, 204505
(DOI: 10.1063/1.3026364)
Homogeneous nucleation under shear in a two-dimensional Ising model: Cluster growth, coalescence, and breakup
RJ Allen, C Valeriani, S Tanase-Nicola, PR ten Wolde, D Frenkel - Journal of Chemical Physics (2008) 129, ARTN 134704
(DOI: 10.1063/1.2981052)
Quasibinary amorphous phase in a three-dimensional system of particles with repulsive-shoulder interactions
YD Fomin, NV Gribova, VN Ryzhov, SM Stishov, D Frenkel - Journal of Chemical Physics (2008) 129, ARTN 064512
(DOI: 10.1063/1.2965880)
Liquid-vapor transition driven by bond disorder
B Bozorgui, D Frenkel - Physical Review Letters (2008) 101, 045701
(DOI: 10.1103/PhysRevLett.101.045701)
Dynamical heterogeneity in a glass-forming ideal gas
P Charbonneau, C Das, D Frenkel - Phys Rev E Stat Nonlin Soft Matter Phys (2008) 78, 011505
(DOI: 10.1103/PhysRevE.78.011505)


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