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

Computer simulation of hard-core models for liquid crystals
D FRENKEL - Computer Physics Communications (1987) 44, 243
(DOI: 10.1016/0010-4655(87)90079-8)
NONLINEAR CONDUCTIVITY IN MORPHOLINIUM (TCNQ)2 SALTS
HFF JOS, D FRENKEL, G HOOYER, J VANBAARDEWIJK - Journal of physics. C. Solid state physics (1987) 20, 2109
(DOI: 10.1088/0022-3719/20/14/012)
VELOCITY AUTOCORRELATION FUNCTIONS IN A 2D LATTICE LORENTZ GAS - COMPARISON OF THEORY AND COMPUTER-SIMULATION
D FRENKEL - Physics Letters A (1987) 121, 385
(DOI: 10.1016/0375-9601(87)90482-8)
Orientational order and solid-liquid coexistence in the two-dimensional Lennard-Jones system
C UDINK, D FRENKEL - Physical Review B (1987) 35, 6933
(DOI: 10.1103/PhysRevB.35.6933)
Observation of dynamical precursors of the isotropic-nematic transition by computer simulation
MP ALLEN, D FRENKEL - Physical Review Letters (1987) 58, 1748
(DOI: 10.1103/PhysRevLett.58.1748)
Partial enthalpies and related quantities in mixtures from computer simulation
P SINDZINGRE, G CICCOTTI, C MASSOBRIO, D FRENKEL - Chemical Physics Letters (1987) 136, 35
(DOI: 10.1016/0009-2614(87)87294-9)
OBJECTIONS TO HANDEL QUANTUM-THEORY OF 1/F NOISE
TM NIEUWENHUIZEN, D FRENKEL, NG VANKAMPEN - Physical Review A (1987) 35, 2750
(DOI: 10.1103/PhysRevA.35.2750)
MEASUREMENTS OF THE RATIO OF THE FRANK CONSTANTS FOR SPLAY AND BEND IN NEMATICS OF DISK-LIKE MOLECULES
T WARMERDAM, D FRENKEL, RJJ ZIJLSTRA - Journal de physique Paris (1987) 48, 319
(DOI: 10.1051/jphys:01987004802031900)
Simulation of liquids and solids
G Ciccotti, D Frenkel, IR McDonald - (1987)
Evidence for one-, two-, and three-dimensional order in a system of hard parallel spherocylinders
A Stroobants, HNW Lekkerkerker, D Frenkel - Physical Review A (1987) 36, 2929


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