Frenkel | Department of Chemistry

Professor Daan Frenkel ForMemRS

Telephone: 01223 336376
01223 336341

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

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 - J CHEM PHYS (2009) 131, ARTN 159903
(DOI: 10.1063/1.3251048)

Phase diagram of Hertzian spheres

JC Pamies, A Cacciuto, D Frenkel - Journal of Chemical Physics (2009) 131, 044514
(DOI: 10.1063/1.3186742)

Materials science: Soft particles feel the squeeze

D Frenkel - Nature (2009) 460, 465
(DOI: 10.1038/460465a)

Waterlike thermodynamic anomalies in a repulsive-shoulder potential system

NV Gribova, YD Fomin, D Frenkel, VN Ryzhov - Physical Review E - Statistical, Nonlinear, and Soft Matter Physics (2009) 79, 051202
(DOI: 10.1103/PhysRevE.79.051202)

Homogeneous bubble nucleation driven by local hot spots: A molecular dynamics study

ZJ Wang, C Valeriani, D Frenkel - J Phys Chem B (2009) 113, 3776
(DOI: 10.1021/jp807727p)

Geometrical frustration: a study of four-dimensional hard spheres.

JA van Meel, D Frenkel, P Charbonneau - Phys Rev E Stat Nonlin Soft Matter Phys (2009) 79, 030201
(DOI: 10.1103/PhysRevE.79.030201)

General
Research Interests
Teaching
Personal
Funding

Department of Chemistry

Professor Daan Frenkel ForMemRS

Publications

General

Research Interests

Teaching

Personal

Funding