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

The mechanism of thickness selection in the Sadler-Gilmer model of polymer crystallization
JPK Doye, D Frenkel - The Journal of Chemical Physics (1999) 110, 7073
(DOI: 10.1063/1.478613)
Short-time dynamics of colloidal suspensions in confined geometries
I Pagonabarraga, MHJ Hagen, CP Lowe, D Frenkel - Physical Review E (1999) 59, 4458
(DOI: 10.1103/PhysRevE.59.4458)
Nematic-isotropic transition in polydisperse systems of infinitely thin hard platelets
MA Bates, D Frenkel - The Journal of Chemical Physics (1999) 110, 6553
(DOI: 10.1063/1.478558)
Optimal packing of polydisperse hard-sphere fluids
JF Zhang, R Blaak, E Trizac, JA Cuesta, D Frenkel - The Journal of Chemical Physics (1999) 110, 5318
(DOI: 10.1063/1.478426)
Can stacking faults in hard-sphere crystals anneal out spontaneously?
S Pronk, D Frenkel - The Journal of Chemical Physics (1999) 110, 4589
(DOI: 10.1063/1.478339)
Recoil growth: An efficient simulation method for multi-polymer systems
S Consta, NB Wilding, D Frenkel, Z Alexandrowicz - The Journal of Chemical Physics (1999) 110, 3220
(DOI: 10.1063/1.477844)
Kinetic Monte Carlo simulations of the growth of polymer crystals
JPK Doye, D Frenkel - The Journal of Chemical Physics (1999) 110, 2692
(DOI: 10.1063/1.477992)
Entropy-driven phase transitions
D Frenkel - Physica A: Statistical Mechanics and its Applications (1999) 263, 26
(DOI: 10.1016/S0378-4371(98)00501-9)
Enhanced protein crystallization around the metastable critical point
PR ten Wolde, D Frenkel - Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) (1999) 101, 205
(DOI: 10.1007/s002140050430)
Numerical calculation of the rate of homogeneous gas-liquid nucleation in a Lennard-Jones system
PR ten Wolde, MJ Ruiz-Montero, D Frenkel - The Journal of Chemical Physics (1999) 110, 1591
(DOI: 10.1063/1.477799)


General


Research Interests


Teaching


Personal


Funding