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

Velocity fluctuations and dispersion in a simple porous medium.
F Capuani, D Frenkel, CP Lowe - Phys Rev E Stat Nonlin Soft Matter Phys (2003) 67, 056306
(DOI: 10.1103/PhysRevE.67.056306)
Competition of percolation and phase separation in a fluid of adhesive hard spheres.
MA Miller, D Frenkel - Phys Rev Lett (2003) 90, 135702
(DOI: 10.1103/PhysRevLett.90.135702)
Phase transitions of bulk statistical copolymers studied by dynamic Monte Carlo simulations
WB Hu, VBF Mathot, D Frenkel - MACROMOLECULES (2003) 36, 2165
(DOI: 10.1021/ma0213854)
Free energy barrier to melting of single-chain polymer crystallite
WB Hu, D Frenkel, VBF Mathot - J CHEM PHYS (2003) 118, 3455
(DOI: 10.1063/1.1553980)
Sectorization of a lamellar polymer crystal studied by dynamic Monte Carlo simulations
WB Hu, D Frenkel, VBF Mathot - MACROMOLECULES (2003) 36, 549
(DOI: 10.1021/ma0258531)
Phase behavior and crystallization kinetics of poly-12-hydroxystearic-coated polymethylmethacrylate colloids.
S Auer, WCK Poon, D Frenkel - Phys Rev E Stat Nonlin Soft Matter Phys (2003) 67, 020401
(DOI: 10.1103/PhysRevE.67.020401)
Calculation of the melting point of NaCl by molecular simulation
J Anwar, D Frenkel, MG Noro - J CHEM PHYS (2003) 118, 728
(DOI: 10.1063/1.1522375)
Hormonal regulation of calcium homeostasis in two breeds of dogs during growth at different rates
MA Tryfonidou, MS Holl, M Vastenburg, MA Oosterlaken-Dijksterhuis, DH Birkenḧager-Frenkel, WE Van Den Brom, HAW Hazewinkel - Journal of Animal Science (2003) 81, 1568
Biased Monte Carlo methods
D Frenkel - MONTE CARLO METHOD IN THE PHYSICAL SCIENCES (2003) 690, 99
Density functional approach to helium at finite temperature
T Biben, D Frenkel - JOURNAL OF PHYSICS-CONDENSED MATTER (2002) 14, 9077
(DOI: 10.1088/0953-8984/14/40/302)


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