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

Simulation study of intra- and intermicellar ordering in triblock-copolymer systems.
CM Wijmans, E Eiser, D Frenkel - Journal of Chemical Physics (2004) 120, 5839
(DOI: 10.1063/1.1649730)
Cubatic phase for tetrapods
R Blaak, BM Mulder, D Frenkel - J CHEM PHYS (2004) 120, 5486
(DOI: 10.1063/1.1649733)
High-pressure diamondlike liquid carbon
LM Ghiringhelli, JH Los, EJ Meijer, A Fasolino, D Frenkel - Physical Review B - Condensed Matter and Materials Physics (2004) 69, 1001011
(DOI: 10.1103/PhysRevB.69.100101)
Self-poisoning of crystal nuclei in hard-rod liquids
T Schilling, D Frenkel - Phys Rev Lett (2004) 92, 085505
(DOI: 10.1103/PhysRevLett.92.085505)
Phase behavior and selectivity of DNA-linked nanoparticle assemblies.
DB Lukatsky, D Frenkel - Phys Rev Lett (2004) 92, 068302
(DOI: 10.1103/PhysRevLett.92.068302)
Numerical prediction of absolute crystallization rates in hard-sphere colloids
S Auer, D Frenkel - Journal of Chemical Physics (2004) 120, 3015
(DOI: 10.1063/1.1638740)
Multiple histogram method and static Monte Carlo sampling
MA Inda, D Frenkel - Macromolecular Theory and Simulations (2004) 13, 36
(DOI: 10.1002/mats.200350040)
Self-poisoning of crystal nuclei in hard-rod liquids
T Schilling, D Frenkel - PHYSICS OF COMPLEX SYSTEMS (NEW ADVANCES AND PERSPECTIVES) (2004) 155, 583
Quantitative prediction of crystal-nucleation rates for spherical colloids: a computational approach.
S Auer, D Frenkel - Annual Review of Physical Chemistry (2004) 55, 333
(DOI: 10.1146/annurev.physchem.55.091602.094402)
Intramolecular nucleation model for polymer crystallization
WB Hu, D Frenkel, VBF Mathot - MACROMOLECULES (2003) 36, 8178
(DOI: 10.1021/ma0344285)


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