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

Effect of the coil-globule transition on the free-energy barrier for intrachain crystal nucleation.
WB Hu, D Frenkel - J Phys Chem B (2006) 110, 3734
(DOI: 10.1021/jp056679g)
Colloidal crystals: Plenty of room at the top
D Frenkel - NAT MATER (2006) 5, 85
(DOI: 10.1038/nmat1572)
Simulating rare events in equilibrium or nonequilibrium stochastic systems
RJ Allen, D Frenkel, PR ten Wolde - J Chem Phys (2006) 124, 024102
(DOI: 10.1063/1.2140273)
Waste-recycling Monte Carlo
D Frenkel - Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology, Vol 1 (2006) 703, 127
(DOI: 10.1007/3-540-35273-2_4)
Introduction to colloidal systems
D Frenkel - SOFT CONDENSED MATTER PHYSICS IN MOLECULAR AND CELL BIOLOGY (2006), 19
Liquid carbon: structure near the freezing line
LM Ghiringhelli, JH Los, EJ Meijer, A Fasolino, D Frenkel - Journal of Physics Condensed Matter (2005) 17, S3619
(DOI: 10.1088/0953-8984/17/45/056)
Pore nucleation in mechanically stretched bilayer membranes.
ZJ Wang, D Frenkel - J Chem Phys (2005) 123, 154701
(DOI: 10.1063/1.2060666)
Simulation of colloidal crystallization on finite structured templates
A Cacciuto, D Frenkel - Phys Rev E Stat Nonlin Soft Matter Phys (2005) 72, 041604
(DOI: 10.1103/PhysRevE.72.041604)
Virtual-move parallel tempering
I Coluzza, D Frenkel - Chemphyschem (2005) 6, 1779
(DOI: 10.1002/cphc.200400629)
Nucleation in suspensions of anisotropic colloids
TA Schilling, D Frenkel - COMPUTER PHYSICS COMMUNICATIONS (2005) 169, 117
(DOI: 10.1016/j.cpc.2005.03.028)


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