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

TAGGED PARTICLE DIFFUSION IN 3D LATTICE GAS CELLULAR AUTOMATA
MA VANDERHOEF, D FRENKEL - Physica D: Nonlinear Phenomena (1991) 47, 191
(DOI: 10.1016/0167-2789(91)90289-L)
SURFACE-INDUCED MELTING AND FREEZING .2. A SEMIEMPIRICAL LANDAU-TYPE MODEL
B PLUIS, D FRENKEL, JF VANDERVEEN - Surface Science (1990) 239, 282
(DOI: 10.1016/0039-6028(90)90231-V)
FROM LATTICE GASES TO POLYMERS
D FRENKEL - JOURNAL OF PHYSICS-CONDENSED MATTER (1990) 2, SA265
Short-time correlations in liquids: Molecular-dynamics simulation of hard spheroids
J TALBOT, D KIVELSON, G TARJUS, MP ALLEN, GT EVANS, D FRENKEL - Physical Review Letters (1990) 65, 2828
(DOI: 10.1103/PhysRevLett.65.2828)
DISSIPATIVE HYDRODYNAMIC INTERACTIONS VIA LATTICE-GAS CELLULAR AUTOMATA
AJC LADD, D FRENKEL - Physics of Fluids A: Fluid Dynamics (1990) 2, 1921
(DOI: 10.1063/1.857667)
MONTE-CARLO SIMULATION OF 2-DIMENSIONAL HARD ELLIPSES
JA CUESTA, D FRENKEL - Physical Review A (1990) 42, 2126
(DOI: 10.1103/PhysRevA.42.2126)
Direct measurement of correlation functions in a lattice Lorentz gas
PM BINDER, D FRENKEL - Physical Review A (1990) 42, 2463
(DOI: 10.1103/PhysRevA.42.2463)
LOCATION OF MELTING-POINT AT 300-K OF NITROGEN BY MONTE-CARLO SIMULATION
EJ MEIJER, D FRENKEL, RA LESAR, AJC LADD - The Journal of Chemical Physics (1990) 92, 7570
(DOI: 10.1063/1.458193)
LONG-TIME TAILS OF THE VELOCITY AUTOCORRELATION FUNCTION IN 2-DIMENSIONAL AND 3-DIMENSIONAL LATTICE-GAS CELLULAR AUTOMATA - A TEST OF MODE-COUPLING THEORY
MA VANDERHOEF, D FRENKEL - Physical Review A (1990) 41, 4277
(DOI: 10.1103/PhysRevA.41.4277)
PHASE-DIAGRAM OF A SYSTEM OF HARD SPHEROCYLINDERS BY COMPUTER-SIMULATION
JAC VEERMAN, D FRENKEL - Physical Review A (1990) 41, 3237
(DOI: 10.1103/PhysRevA.41.3237)


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