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

Pair interactions between complex mesoscopic particles from Widom's particle-insertion method
BM Mladek, D Frenkel - Soft Matter (2010) 7, 1450
(DOI: 10.1039/c0sm00815j)
Real-time monitoring of complex moduli from micro-rheology
T Yanagishima, D Frenkel, J Kotar, E Eiser - Journal of Physics: Condensed Matter (2010) 23, 194118
(DOI: 10.1088/0953-8984/23/19/194118)
Free-energy-based method for step size detection of processive molecular motors
B Bozorgui, K Shundyak, SJ Cox, D Frenkel - European Physical Journal E (2010) 31, 411
(DOI: 10.1140/epje/i2010-10590-6)
Transdisciplinary EU science institute needs funds urgently
JW Vasbinder, B Andersson, WB Arthur, M Boasson, R de Boer, JP Changeux, E Domingo, M Eigen, A Fersht, D Frenkel, M Rees, T Groen, R Huber, T Hunt, J Holland, R May, E Norrby, P Nijkamp, JM Lehn, R Rabbinge, M Scheffer, P Schuster, I Serageldin, J Stuip, J de Vries, W van Vierssen, R Willems - Nature (2010) 463, 876
(DOI: 10.1038/463876a)
Simulation study of micelle formation by bile salts
AV Verde, D Frenkel - Soft Matter (2010) 6, 3815
(DOI: 10.1039/c0sm00011f)
Recent advances in the modelling and simulation of electrokinetic effects: bridging the gap between atomistic and macroscopic descriptions
I Pagonabarraga, B Rotenberg, D Frenkel - Physical Chemistry Chemical Physics (2010) 12, 9566
(DOI: 10.1039/c004012f)
Coarse-grained simulations of charge, current and flow in heterogeneous media
B Rotenberg, I Pagonabarraga, D Frenkel - Faraday Discussions (2010) 144, 223
(DOI: 10.1039/b901553a)
Anomalous phase behavior of liquid-vapor phase transition in binary mixtures of DNA-coated particles
FJ Martinez-Veracoechea, B Bozorgui, D Frenkel - Soft Matter (2010) 6, 6136
(DOI: 10.1039/c0sm00567c)
Field-induced self-assembly of suspended colloidal membranes.
N Osterman, I Poberaj, J Dobnikar, D Frenkel, P Ziherl, D Babic - Physical Review Letters (2009) 103, 228301
(DOI: 10.1103/PhysRevLett.103.228301)
Phase diagram of Hertzian spheres (vol 131, 044514, 2009)
JC Pamies, A Cacciuto, D Frenkel - The Journal of Chemical Physics (2009) 131, 159903
(DOI: 10.1063/1.3251048)


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