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

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
COMPUTER-SIMULATION OF HARD-CORE MODELS FOR LIQUID-CRYSTALS
D FRENKEL - MOLECULAR PHYSICS (1987) 60, 1
(DOI: 10.1080/00268978700100011)
Evidence for Smectic Order in a Fluid of Hard Parallel Spherocylinders
A STROOBANTS, HNW LEKKERKERKER, D FRENKEL - Physical Review Letters (1986) 57, 1452
(DOI: 10.1103/PhysRevLett.57.1452)
Structure factors of polydisperse systems of hard spheres: A comparison of Monte Carlo simulations and Percus-Yevick theory
D FRENKEL, RJ VOS, CG DEKRUIF, A VRIJ - The Journal of Chemical Physics (1986) 84, 4625
(DOI: 10.1063/1.449987)
Stability of the high-pressure body-centered-cubic phase of helium
D FRENKEL - Physical Review Letters (1986) 56, 858
(DOI: 10.1103/PhysRevLett.56.858)
THE HARD ELLIPSOID-OF-REVOLUTION FLUID .2. THE Y-EXPANSION EQUATION OF STATE
BM MULDER, D FRENKEL - MOLECULAR PHYSICS (1985) 55, 1193
(DOI: 10.1080/00268978500101981)


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