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

Rotational relaxation of solute molecules in dense noble gases and the relation with local anisotropy fluctuations

J Van Der Elsken, D Frenkel - Faraday Symposia of the Chemical Society (1977) 11, 125

General discussion

AD Buckingham, A Gerschel, G Wyllie, W Alexiewicz, J Buchert, S Kielich, G Williams, J Yarwood, JS Rowlinson, BJ Berne, D Frenkel, T Dorfmüller, G Searby, M Davies, JM Vaughan, R Pecora, D Kivelson, PSY Cheung, PA Madden, RM Lynden-Bell, MR Battaglia, TI Cox, RA Shatwell, GC Tabisz, DW Oxtoby, K Singer - Faraday Symposia of the Chemical Society (1977) 11, 148

FAR IR STUDY OF AR-HCI VANDERWAALS MOLECULE/EC

EW BOOM, D FRENKEL, J VANDERELSKEN - J CHEM PHYS (1977) 66, 1826
(DOI: 10.1063/1.434201)

Density dependence of the pressure induced shift of HCl rotational lines perturbed by argon

D FRENKEL, J VANDERELSKEN - Chemical Physics Letters (1977) 50, 116
(DOI: 10.1016/0009-2614(77)80692-1)

Anisotropic density fluctuations in argon at different densities: Far infrared measurements and molecular dynamic calculations

D FRENKEL, J VANDERELSKEN - The Journal of Chemical Physics (1977) 67, 4243

Non-linear density dependence of rotational line-broadening of HCl in dense argon

D FRENKEL, DJ GRAVESTEYN, J VANDERELSKEN - Chemical Physics Letters (1976) 40, 9
(DOI: 10.1016/0009-2614(76)80108-X)

Molecular dynamics calculations on the time dependence of simple, anisotropic potentials in dense argon

D FRENKEL, J VANDERELSKEN - Chemical Physics Letters (1976) 40, 14
(DOI: 10.1016/0009-2614(76)80109-1)

A far infrared study of the Ar-HCI van der Waals molecule

EW Boom, D Frenkel, J Van Der Elsken - The Journal of Chemical Physics (1976) 66, 1826

Rotational diffusion model with a variable collision distribution. II. the effect of energy transfer

D Frenkel, GH Wegdam - The Journal of Chemical Physics (1974) 61, 4680

ROTATIONAL DIFFUSION-MODEL WITH A VARIABLE COLLISION DISTRIBUTION .2. EFFECT OF ENERGY TRANSFER

D FRENKEL, GH WEGDAM - J CHEM PHYS (1974) 61, 4671
(DOI: 10.1063/1.1681789)

General
Research Interests
Teaching
Personal
Funding

Department of Chemistry

Professor Daan Frenkel ForMemRS

Publications

General

Research Interests

Teaching

Personal

Funding