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 crystal nucleation of parallel hard spherocylinders
JAC VEERMAN, D FRENKEL - Physica A: Statistical Mechanics and its Applications (1989) 156, 599
(DOI: 10.1016/0378-4371(89)90083-6)
Computation of partial enthalpies of various Lennard-Jones model mixtures by NPT molecular dynamics
R VOGELSANG, C HOHEISEL, P SINDZINGRE, G CICCOTTI, D FRENKEL - Journal of Physics: Condensed Matter (1989) 1, 957
(DOI: 10.1088/0953-8984/1/5/012)
Calculation of partial enthalpies of an argon-krypton mixture by NPT molecular dynamics
P SINDZINGRE, C MASSOBRIO, G CICCOTTI, D FRENKEL - Chemical Physics (1989) 129, 213
(DOI: 10.1016/0301-0104(89)80007-2)
COLUMNAR ORDERING AS AN EXCLUDED-VOLUME EFFECT
D FRENKEL - LIQ CRYST (1989) 5, 929
(DOI: 10.1080/02678298908026399)
Smectic ordering in nematic and smectic liquid-crystalline films probed by means of surface light scattering
A BOTTGER, D FRENKEL, JGH JOOSTEN, G KROOSHOF - Physical Review A (1988) 38, 6316
(DOI: 10.1103/PhysRevA.38.6316)
Dynamics of the Frederiks transition in nematics consisting of disc-like molecules Thermal dependence of a bend viscosity coefficient
TW WARMERDAM, D FRENKEL, RJJ ZIJLSTRA - Liquid Crystals (1988) 3, 1105
(DOI: 10.1080/02678298808086565)
DISCOTIC LIQUID-CRYSTALS - PHYSICAL PARAMETERS OF SOME 2,3,7,8,12,13-HEXA(ALKANOYLOXY)TRUXENES - OBSERVATION OF A RE-ENTRANT ISOTROPIC-PHASE IN A PURE DISC-LIKE MESOGEN
TW WARMERDAM, RJM NOLTE, W DRENTH, JC VANMILTENBURG, D FRENKEL, RJJ ZIJLSTRA - Liquid Crystals (1988) 3, 1087
(DOI: 10.1080/02678298808086564)
Simulation of the adhesive-hard-sphere model
WGT KRANENDONK, D FRENKEL - Molecular Physics (1988) 64, 403
(DOI: 10.1080/00268978800100303)
Structure of hard-core models for liquid crystals
D FRENKEL - The Journal of Physical Chemistry (1988) 92, 3280
(DOI: 10.1021/j100322a042)
Thermodynamic stability of a smectic phase in a system of hard rods
D FRENKEL, HNW LEKKERKERKER, A STROOBANTS - Nature (1988) 332, 822
(DOI: 10.1038/332822a0)


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