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

Melting of polydisperse hard disks.
S Pronk, D Frenkel - Phys Rev E Stat Nonlin Soft Matter Phys (2004) 69, 066123
(DOI: 10.1103/PhysRevE.69.066123)
Self-poisoning of crystal nuclei in hard-rod liquids
T Schilling, D Frenkel - Journal of Physics: Condensed Matter (2004) 16, S2029
(DOI: 10.1088/0953-8984/16/19/014)
Multiple stalk formation as a pathway of defect-induced membrane fusion.
DB Lukatsky, D Frenkel - The European Physical Journal E (2004) 14, 3
(DOI: 10.1140/epje/i2004-10005-5)
Large effect of polydispersity on defect concentrations in colloidal crystals.
S Pronk, D Frenkel - The Journal of Chemical Physics (2004) 120, 6764
(DOI: 10.1063/1.1667880)
Onset of heterogeneous crystal nucleation in colloidal suspensions
A Cacciuto, S Auer, D Frenkel - Nature (2004) 428, 404
(DOI: 10.1038/nature02397)
Simulation study of intra- and intermicellar ordering in triblock-copolymer systems.
CM Wijmans, E Eiser, D Frenkel - The Journal of Chemical Physics (2004) 120, 5839
(DOI: 10.1063/1.1649730)
Cubatic phase for tetrapods
R Blaak, BM Mulder, D Frenkel - The Journal of Chemical Physics (2004) 120, 5486
(DOI: 10.1063/1.1649733)
High-pressure diamondlike liquid carbon
LM Ghiringhelli, JH Los, EJ Meijer, A Fasolino, D Frenkel - Physical Review B - Condensed Matter and Materials Physics (2004) 69, 1001011
(DOI: 10.1103/PhysRevB.69.100101)
Self-poisoning of crystal nuclei in hard-rod liquids
T Schilling, D Frenkel - Phys Rev Lett (2004) 92, 085505
(DOI: 10.1103/PhysRevLett.92.085505)
Phase behavior and selectivity of DNA-linked nanoparticle assemblies.
DB Lukatsky, D Frenkel - Phys Rev Lett (2004) 92, 068302
(DOI: 10.1103/PhysRevLett.92.068302)


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