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

Computing stationary distributions in equilibrium and nonequilibrium systems with forward flux sampling.

C Valeriani, RJ Allen, MJ Morelli, D Frenkel, PR ten Wolde - J Chem Phys (2007) 127, 114109
(DOI: 10.1063/1.2767625)

Phase coexistence of cluster crystals: beyond the Gibbs phase rule

BM Mladek, P Charbonneau, D Frenkel - Physical Review Letters (2007) 99, 235702
(DOI: 10.1103/PhysRevLett.99.235702)

Local structure of liquid carbon controls diamond nucleation.

LM Ghiringhelli, C Valeriani, EJ Meijer, D Frenkel - Physical Review Letters (2007) 99, 055702
(DOI: 10.1103/PhysRevLett.99.055702)

Evidence for out-of-equilibrium crystal nucleation in suspensions of oppositely charged colloids

E Sanz, C Valeriani, D Frenkel, M Dijkstra - Physical Review Letters (2007) 99, 055501
(DOI: 10.1103/PhysRevLett.99.055501)

Gas-solid coexistence of adhesive spheres

P Charbonneau, D Frenkel - J CHEM PHYS (2007) 126, ARTN 196101
(DOI: 10.1063/1.2737051)

Lattice-based Monte Carlo method for telechelic chain molecules

B Bozorgui, D Frenkel - Phys Rev E Stat Nonlin Soft Matter Phys (2007) 75, 036708
(DOI: 10.1103/PhysRevE.75.036708)

Monte Carlo study of substrate-induced folding and refolding of lattice proteins

I Coluzza, D Frenkel - Biophys J (2007) 92, 1150
(DOI: 10.1529/biophysj.106.084236)

Protein shape and crowding drive domain formation and curvature in photosynthetic membranes

R Frese, J Olsen, N Hunter, D Frenkel, T Aartsma, R van Grondelle - PHOTOSYNTHESIS RESEARCH (2007) 91, 214

Simple off-lattice model to study the folding and aggregation of peptides

N Combe, D Frenkel - MOLECULAR PHYSICS (2007) 105, 375
(DOI: 10.1080/00268970601175483)

Depletion interaction between proteins drives the formation of protein domains of different fluidity and curvature in crowded membranes.

RN Frese, JC Pamies, TJ Aartsma, D Frenkel, R van Grondelle - BIOPHYSICAL JOURNAL (2007), 221A

General
Research Interests
Teaching
Personal
Funding

Department of Chemistry

Professor Daan Frenkel ForMemRS

Publications

General

Research Interests

Teaching

Personal

Funding