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

Mesoscopic lattice modeling of electrokinetic phenomena
I Pagonabarraga, F Capuani, D Frenkel - COMPUTER PHYSICS COMMUNICATIONS (2005) 169, 192
(DOI: 10.1016/j.cpc.2005.03.043)
Novel Monte Carlo scheme for systems with short-ranged interactions.
GC Boulougouris, D Frenkel - J Chem Phys (2005) 122, 244106
(DOI: 10.1063/1.1931652)
Modeling flexible amphiphilic bilayers: a solvent-free off-lattice Monte Carlo study.
ZJ Wang, D Frenkel - J Chem Phys (2005) 122, 234711
(DOI: 10.1063/1.1927509)
Surface and bulk dissolution properties, and selectivity of DNA-linked nanoparticle assemblies.
DB Lukatsky, D Frenkel - The Journal of chemical physics (2005) 122, 214904
(DOI: 10.1063/1.1906210)
Rate of homogeneous crystal nucleation in molten NaCl.
C Valeriani, E Sanz, D Frenkel - J Chem Phys (2005) 122, 194501
(DOI: 10.1063/1.1896348)
Monte Carlo sampling of a Markov web
GC Boulougouris, D Frenkel - J CHEM THEORY COMPUT (2005) 1, 389
(DOI: 10.1021/ct049900m)
Length, protein-protein interactions, and complexity
T Tan, D Frenkel, V Gupta, MW Deem - PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS (2005) 350, 52
(DOI: 10.1016/j.physa.2004.11.021)
Modeling the phase diagram of carbon.
LM Ghiringhelli, JH Los, EJ Meijer, A Fasolino, D Frenkel - Physical Review Letters (2005) 94, 145701
(DOI: 10.1103/PhysRevLett.94.145701)
Stresses inside critical nuclei.
A Cacciuto, D Frenkel - J Phys Chem B (2005) 109, 6587
(DOI: 10.1021/jp0456483)
Structural arrest in an ideal gas.
W van Ketel, C Das, D Frenkel - Phys Rev Lett (2005) 94, 135703
(DOI: 10.1103/PhysRevLett.94.135703)


General


Research Interests


Teaching


Personal


Funding


Further Funding Information: 

External Links: