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

Comparison of simple perturbation-theory estimates for the liquid-solid and the liquid-vapor interfacial free energies of Lennard-Jones systems
C Valeriani, ZJ Wang, D Frenkel - MOL SIMULAT (2007) 33, 1023
(DOI: 10.1080/08927020701579352)
A finite-cluster phase in λ-DNA-coated colloids
T Schmatko, B Bozorgui, N Geerts, D Frenkel, E Eiser, WCK Poon - Soft Matter (2007) 3, 703
(DOI: 10.1039/b618028k)
Application of the optimized Baxter model to the hard-core attractive Yukawa system
P Prinsen, JC Pamies, T Odijk, D Frenkel - J CHEM PHYS (2006) 125, 194506
(DOI: 10.1063/1.2390699)
Materials science. Colloidal encounters: a matter of attraction.
D Frenkel - Science (2006) 314, 768
(DOI: 10.1126/science.1135544)
Physical chemistry - Seeds of phase change
D Frenkel - NATURE (2006) 443, 641
(DOI: 10.1038/443641a)
Forward flux sampling-type schemes for simulating rare events: Efficiency analysis
RJ Allen, D Frenkel, PR ten Wolde - J Chem Phys (2006) 124, 194111
(DOI: 10.1063/1.2198827)
Translocation boost protein-folding efficiency of double-barreled chaperonins.
I Coluzza, SM van der Vies, D Frenkel - Biophysical Journal (2006) 90, 3375
(DOI: 10.1529/biophysj.105.074898)
Designing ordered DNA-linked nanoparticle assemblies
DB Lukatsky, BM Mulder, D Frenkel - J PHYS-CONDENS MAT (2006) 18, S567
(DOI: 10.1088/0953-8984/18/18/S05)
Lattice-Boltzmann simulations of ionic current modulation by DNA translocation
S Reboux, F Capuani, N Gonzalez-Segredo, D Frenkel - J CHEM THEORY COMPUT (2006) 2, 495
(DOI: 10.1021/ct050340g)
Lattice-Boltzmann simulation of the sedimentation of charged disks.
F Capuani, I Pagonabarraga, D Frenkel - J Chem Phys (2006) 124, 124903
(DOI: 10.1063/1.2178804)


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