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

Harvesting graphics power for MD simulations
JA van Meel, A Arnold, D Frenkel, SFP Zwart, RG Belleman - Molecular Simulation (2008) 34, 259
(DOI: 10.1080/08927020701744295)
Dispersion of charged tracers in charged porous media
B Rotenberg, I Pagonabarraga, D Frenkel - EPL (Europhysics Letters) (2008) 83, 34004
(DOI: 10.1209/0295-5075/83/34004)
Dispersion of charged tracers in charged porous media
B Rotenberg, I Pagonabarraga, D Frenkel - EPL (2008) 83
Unexpected relaxation dynamics of a self-avoiding polymer in cylindrical confinement
A Arnold, B Bozorgui, D Frenkel, BY Ha, S Jun - The Journal of Chemical Physics (2007) 127, 164903
(DOI: 10.1063/1.2799513)
Molecular simulations of droplet coalescence in oil/water/surfactant systems
L Rekvig, D Frenkel - The Journal of Chemical Physics (2007) 127, 134701
(DOI: 10.1063/1.2780865)
Computing stationary distributions in equilibrium and nonequilibrium systems with forward flux sampling.
C Valeriani, RJ Allen, MJ Morelli, D Frenkel, PR ten Wolde - The Journal of Chemical Physics (2007) 127, 114109
(DOI: 10.1063/1.2767625)
Phase coexistence of cluster crystals: beyond the Gibbs phase rule
BM Mladek, P Charbonneau, D Frenkel - Physical Review Letters (2007) 99, 235702
(DOI: 10.1103/PhysRevLett.99.235702)
Local structure of liquid carbon controls diamond nucleation.
LM Ghiringhelli, C Valeriani, EJ Meijer, D Frenkel - Physical Review Letters (2007) 99, 055702
(DOI: 10.1103/PhysRevLett.99.055702)
Evidence for out-of-equilibrium crystal nucleation in suspensions of oppositely charged colloids
E Sanz, C Valeriani, D Frenkel, M Dijkstra - Physical Review Letters (2007) 99, 055501
(DOI: 10.1103/PhysRevLett.99.055501)
Gas-solid coexistence of adhesive spheres
P Charbonneau, D Frenkel - The Journal of Chemical Physics (2007) 126, 196101
(DOI: 10.1063/1.2737051)


General


Research Interests


Teaching


Personal


Funding