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

Computation challenges in complex liquids: Entropy-driven phase transitions
D FRENKEL - Future Generation Computer Systems (1994) 10, 207
(DOI: 10.1016/0167-739X(94)90019-1)
THE OVERLAPPING DISTRIBUTION METHOD TO COMPUTE CHEMICAL-POTENTIALS OF CHAIN MOLECULES
GCAM MOOIJ, D FRENKEL - Journal of Physics: Condensed Matter (1994) 6, 3879
(DOI: 10.1088/0953-8984/6/21/012)
Colloids dispersed in polymer solutions. A computer simulation study
EJ MEIJER, D FRENKEL - The Journal of Chemical Physics (1994) 100, 6873
(DOI: 10.1063/1.467003)
NUMERICAL TEST OF THE GENERALIZED FLORY AND GENERALIZED FLORY DIMER THEORIES
GCAM MOOIJ, D FRENKEL - The Journal of Chemical Physics (1994) 100, 6088
(DOI: 10.1063/1.467120)
PREDICTION OF AN EXPANDED-TO-CONDENSED TRANSITION IN COLLOIDAL CRYSTALS
P BOLHUIS, D FRENKEL - Physical Review Letters (1994) 72, 2211
(DOI: 10.1103/PhysRevLett.72.2211)
EVIDENCE FOR ENTROPY-DRIVEN DEMIXING IN HARD-CORE FLUIDS
M DIJKSTRA, D FRENKEL - Physical Review Letters (1994) 72, 298
(DOI: 10.1103/PhysRevLett.72.298)
FREE-ENERGY CHANGES ON FREEZING AND MELTING DUCTILE METALS
RM LYNDENBELL, JS VANDUIJNEVELDT, D FRENKEL - Molecular Physics (1993) 80, 801
(DOI: 10.1080/00268979300102661)
A COMPUTER-SIMULATION INVESTIGATION INTO THE STABILITY OF THE AB2 SUPERLATTICE IN A BINARY HARD-SPHERE SYSTEM
MD ELDRIDGE, PA MADDEN, D FRENKEL - Molecular Physics (1993) 80, 987
(DOI: 10.1080/00268979300102811)
DOES C-60 HAVE A LIQUID-PHASE
MHJ HAGEN, EJ MEIJER, GCAM MOOIJ, D FRENKEL, HNW LEKKERKERKER - Nature (1993) 365, 425
(DOI: 10.1038/365425a0)
ENTROPY-DRIVEN FORMATION OF A SUPERLATTICE IN A HARD-SPHERE BINARY MIXTURE
MD ELDRIDGE, PA MADDEN, D FRENKEL - Nature (1993) 365, 35
(DOI: 10.1038/365035a0)


General


Research Interests


Teaching


Personal


Funding