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

Spatiotemporal control and superselectivity in supramolecular polymers using multivalency
L Albertazzi, FJ Martinez-Veracoechea, CMA Leenders, IK Voets, D Frenkel, EW Meijer - Proceedings of the National Academy of Sciences of the United States of America (2013) 110, 12203
(DOI: 10.1073/pnas.1303109110)
Accounting for adsorption and desorption in lattice Boltzmann simulations
M Levesque, M Duvail, I Pagonabarraga, D Frenkel, B Rotenberg - Physical Review E - Statistical, Nonlinear, and Soft Matter Physics (2013) 88, ARTN 013308
(DOI: 10.1103/PhysRevE.88.013308)
Predicting phase behavior in multicomponent mixtures
WM Jacobs, D Frenkel - The Journal of Chemical Physics (2013) 139, 024108
(DOI: 10.1063/1.4812461)
Visualizing Basins of Attraction for Different Minimization Algorithms.
D Asenjo, JD Stevenson, DJ Wales, D Frenkel - J Phys Chem B (2013), 130529070031002
(DOI: 10.1021/jp312457a)
Challenges in Nanoparticle Delivery: Cellular Uptake and Intracellular Escape
R Vacha, FJ Martinez-Veracoechea, D Frenkel - BIOPHYSICAL JOURNAL (2013) 104, 622A
Communication: A simple analytical formula for the free energy of ligand-receptor-mediated interactions
S Angioletti-Uberti, P Varilly, BM Mognetti, AV Tkachenko, D Frenkel - The Journal of Chemical Physics (2013) 138, 021102
(DOI: 10.1063/1.4775806)
Slow colloidal dynamics in polymer brushes
J Dobnikar, T Curk, FJ Martinez-Veracoechea, D Frenkel - 4TH INTERNATIONAL SYMPOSIUM ON SLOW DYNAMICS IN COMPLEX SYSTEMS: KEEP GOING TOHOKU (2013) 1518, 391
(DOI: 10.1063/1.4794602)
Simulations: The dark side
D Frenkel - The European Physical Journal Plus (2013) 128, ARTN 10
(DOI: 10.1140/epjp/i2013-13010-8)
Intracellular release of endocytosed nanoparticles upon a change of ligand-receptor interaction.
R Vácha, FJ Martinez-Veracoechea, D Frenkel - ACS Nano (2012) 6, 121113090200001
(DOI: 10.1021/nn303508c)
Probing Ergodicity in Granular Matter
F Paillusson, D Frenkel - Physical Review Letters (2012) 109, 208001
(DOI: 10.1103/PhysRevLett.109.208001)


General


Research Interests


Teaching


Personal


Funding