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

CALCULATION OF ION-SCATTERING YIELDS FROM SIMULATED CRYSTAL-SURFACES - THEORY AND APPLICATION TO MELTING AND NON-MELTING AL SURFACES
AWD VANDERGON, D FRENKEL, JWM FRENKEN, RJ SMITH, P STOLTZE - SURFACE SCIENCE (1991) 256, 385
(DOI: 10.1016/0039-6028(91)90881-R)
VAPOR-LIQUID-EQUILIBRIA OF THE HARD-CORE YUKAWA FLUID
B SMIT, D FRENKEL - MOLECULAR PHYSICS (1991) 74, 35
(DOI: 10.1080/00268979100102031)
NOVEL SCHEME TO COMPUTE CHEMICAL-POTENTIALS OF CHAIN MOLECULES ON A LATTICE
GCAM MOOIJ, D FRENKEL - MOLECULAR PHYSICS (1991) 74, 41
(DOI: 10.1080/00268979100102041)
COMPUTER-SIMULATION OF POLYMER-INDUCED CLUSTERING OF COLLOIDS
EJ MEIJER, D FRENKEL - PHYS REV LETT (1991) 67, 1110
(DOI: 10.1103/PhysRevLett.67.1110)
Extended mode coupling and simulations in cellular-automata fluids
T NAITOH, MH ERNST, MA VANDERHOEF, D FRENKEL - Physical Review A (1991) 44, 2484
(DOI: 10.1103/PhysRevA.44.2484)
SIMULATION OF SUB-MOLECULAR AND SUPRA-MOLECULAR FLUIDS
D FRENKEL - PHYSICA A (1991) 176, 54
(DOI: 10.1016/0378-4371(91)90432-C)
ORDERING IN SUPRAMOLECULAR FLUIDS - WORKSHOP HELD BY THE-ROYAL-NETHERLANDS-ACADEMY-OF-ARTS-AND-SCIENCES AT THE PREMISES OF THE ACADEMY AT AMSTERDAM AMSTERDAM, THE NETHERLANDS, 24-26 OCTOBER, 1990 - PREFACE
D FRENKEL, H LEKKERKERKER, T ODIJK - PHYSICA A (1991) 176, R8
NONPERIODIC SOLID-PHASE IN A 2-DIMENSIONAL HARD-DIMER SYSTEM
KW WOJCIECHOWSKI, D FRENKEL, AC BRANKA - PHYS REV LETT (1991) 66, 3168
(DOI: 10.1103/PhysRevLett.66.3168)
VAPOR-LIQUID-EQUILIBRIA OF THE 2-DIMENSIONAL LENNARD-JONES FLUID(S)
B SMIT, D FRENKEL - J CHEM PHYS (1991) 94, 5663
(DOI: 10.1063/1.460477)
RELATIVE STABILITY OF COLUMNAR AND CRYSTALLINE PHASES IN A SYSTEM OF PARALLEL HARD SPHEROCYLINDERS
JAC VEERMAN, D FRENKEL - PHYS REV A (1991) 43, 4334
(DOI: 10.1103/PhysRevA.43.4334)


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