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

EVIDENCE FOR FASTER-THAN-T-1 DECAY OF THE VELOCITY AUTOCORRELATION FUNCTION IN A 2D-FLUID
MA VANDERHOEF, D FRENKEL - PHYS REV LETT (1991) 66, 1591
(DOI: 10.1103/PhysRevLett.66.1591)
THERMODYNAMIC PROPERTIES OF BINARY HARD-SPHERE MIXTURES
WGT KRANENDONK, D FRENKEL - MOLECULAR PHYSICS (1991) 72, 715
(DOI: 10.1080/00268979100100521)
FREE-ENERGY CALCULATIONS FOR SOLID-SOLUTIONS BY COMPUTER-SIMULATIONS
WGT KRANENDONK, D FRENKEL - MOLECULAR PHYSICS (1991) 72, 699
(DOI: 10.1080/00268979100100511)
COMPUTER-SIMULATION OF SOLID LIQUID COEXISTENCE IN BINARY HARD-SPHERE MIXTURES
WGT KRANENDONK, D FRENKEL - MOLECULAR PHYSICS (1991) 72, 679
(DOI: 10.1080/00268979100100501)
MELTING LINE OF YUKAWA SYSTEM BY COMPUTER-SIMULATION
EJ MEIJER, D FRENKEL - J CHEM PHYS (1991) 94, 2269
(DOI: 10.1063/1.459898)
TAGGED PARTICLE DIFFUSION IN 3D LATTICE GAS CELLULAR AUTOMATA
MA VANDERHOEF, D FRENKEL - PHYSICA D (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 - PHYS REV LETT (1990) 65, 2828
(DOI: 10.1103/PhysRevLett.65.2828)
DISSIPATIVE HYDRODYNAMIC INTERACTIONS VIA LATTICE-GAS CELLULAR AUTOMATA
AJC LADD, D FRENKEL - PHYS FLUIDS A-FLUID (1990) 2, 1921
(DOI: 10.1063/1.857667)


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