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

Solid-liquid interfacial free energy of small colloidal hard-sphere crystals

A Cacciuto, S Auer, D Frenkel - Journal of Chemical Physics (2003) 119, 7467
(DOI: 10.1063/1.1607307)

Designing refoldable model molecules.

I Coluzza, HG Muller, D Frenkel - Phys Rev E Stat Nonlin Soft Matter Phys (2003) 68, 046703
(DOI: 10.1103/PhysRevE.68.046703)

Line tension controls wall-induced crystal nucleation in hard-sphere colloids

S Auer, D Frenkel - Phys Rev Lett (2003) 91, 015703
(DOI: 10.1103/PhysRevLett.91.015703)

Large difference in the elastic properties of fcc and hcp hard-sphere crystals

S Pronk, D Frenkel - Phys Rev Lett (2003) 90, 255501
(DOI: 10.1103/PhysRevLett.90.255501)

Dynamic pruned-enriched Rosenbluth method

N Combe, TJH Vlugt, PR Ten Woldel, D Frenkel - MOLECULAR PHYSICS (2003) 101, 1675
(DOI: 10.1080/0026897031000094461)

Lattice-model study of the thermodynamic interplay of polymer crystallization and liquid-liquid demixing

WB Hu, D Frenkel, VBF Mathot - J CHEM PHYS (2003) 118, 10343
(DOI: 10.1063/1.1572462)

Fluid-fluid coexistence in colloidal systems with short-ranged strongly directional attraction

N Kern, D Frenkel - J CHEM PHYS (2003) 118, 9882
(DOI: 10.1063/1.1569473)

Numerical calculation of the melting phase diagram of low molecular-weight polyethylene

C Das, D Frenkel - J CHEM PHYS (2003) 118, 9433
(DOI: 10.1063/1.1568934)

Continuous freezing in three dimensions

RP Sear, D Frenkel - PHYS REV LETT (2003) 90, 195701
(DOI: 10.1103/PhysRevLett.90.195701)

Phase behavior of a lattice protein model

N Combe, D Frenkel - J CHEM PHYS (2003) 118, 9015
(DOI: 10.1063/1.1567256)

General
Research Interests
Teaching
Personal
Funding

Department of Chemistry

Professor Daan Frenkel ForMemRS

Publications

General

Research Interests

Teaching

Personal

Funding