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

ORDER THROUGH DISORDER - ENTROPY STRIKES BACK
D FRENKEL - PHYS WORLD (1993) 6, 24
Grand-canonical simulations of solvated ideal fermions. Evidence for phase separation
A ALAVI, D FRENKEL - The Journal of Chemical Physics (1992) 97, 9249
(DOI: 10.1063/1.463300)
EVIDENCE FOR UNIVERSAL ASYMPTOTIC DECAY OF VELOCITY FLUCTUATIONS IN LORENTZ GASES
D FRENKEL, F VANLUIJN, PM BINDER - EUROPHYS LETT (1992) 20, 7
(DOI: 10.1209/0295-5075/20/1/002)
GRAND-CANONICAL SIMULATIONS OF POLYMERS, AND BEYOND
D FRENKEL - ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (1992) 204, 95
COMPUTER-SIMULATION STUDIES OF STATIC AND DYNAMIC SCALING IN DILUTE-SOLUTIONS OF EXCLUDED-VOLUME POLYMERS
AJC LADD, D FRENKEL - MACROMOLECULES (1992) 25, 3435
(DOI: 10.1021/ma00039a019)
DETERMINATION OF THE CHEMICAL-POTENTIAL OF POLYMERIC SYSTEMS FROM MONTE-CARLO SIMULATIONS - COMMENT
B SMIT, GCAM MOOIJ, D FRENKEL - PHYS REV LETT (1992) 68, 3657
(DOI: 10.1103/PhysRevLett.68.3657)
PHASE-SEPARATION IN BINARY HARD-CORE MIXTURES - AN EXACT RESULT
D FRENKEL, AA LOUIS - PHYS REV LETT (1992) 68, 3363
(DOI: 10.1103/PhysRevLett.68.3363)
ELASTIC-CONSTANTS OF HARD AND SOFT NEMATIC LIQUID-CRYSTALS
B TJIPTOMARGO, GT EVANS, MP ALLEN, D FRENKEL - J PHYS CHEM-US (1992) 96, 3942
(DOI: 10.1021/j100189a007)
DIRECT SIMULATION OF PHASE-EQUILIBRIA OF CHAIN MOLECULES
GCAM MOOIJ, D FRENKEL, B SMIT - J PHYS-CONDENS MAT (1992) 4, L255
(DOI: 10.1088/0953-8984/4/16/001)
PHASE-BEHAVIOR OF DISK-LIKE HARD-CORE MESOGENS
JAC VEERMAN, D FRENKEL - PHYS REV A (1992) 45, 5632
(DOI: 10.1103/PhysRevA.45.5632)


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