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.
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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).
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Fig.2. Heterogeneous crystal nucleation on disordered substrates is facilitated by wetting and capillary condensation.
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SIMULATION OF SUB-MOLECULAR AND SUPRA-MOLECULAR FLUIDS
D FRENKEL - Physica A: Statistical Mechanics and its Applications (
1991)
176, 54
(DOI:
10.1016/0378-4371(91)90432-C)
ORDERING IN SUPRAMOLECULAR FLUIDS - WORKSHOP HELD BY THE-ROYAL-NETHERLANDS-ACADEMY-OF-ARTS-AND-SCIENCES AT THE PREMISES OF THE ACADEMY AT AMSTERDAM AMSTERDAM, THE NETHERLANDS, 24-26 OCTOBER, 1990 - PREFACE
D FRENKEL, H LEKKERKERKER, T ODIJK - PHYSICA A (1991) 176, R8
NONPERIODIC SOLID-PHASE IN A 2-DIMENSIONAL HARD-DIMER SYSTEM
KW WOJCIECHOWSKI, D FRENKEL, AC BRANKA - Physical Review Letters (
1991)
66, 3168
(DOI:
10.1103/PhysRevLett.66.3168)
VAPOR-LIQUID-EQUILIBRIA OF THE 2-DIMENSIONAL LENNARD-JONES FLUID(S)
B SMIT, D FRENKEL - The Journal of Chemical Physics (
1991)
94, 5663
(DOI:
10.1063/1.460477)
RELATIVE STABILITY OF COLUMNAR AND CRYSTALLINE PHASES IN A SYSTEM OF PARALLEL HARD SPHEROCYLINDERS
JAC VEERMAN, D FRENKEL - Physical Review A (
1991)
43, 4334
(DOI:
10.1103/PhysRevA.43.4334)
EVIDENCE FOR FASTER-THAN-T-1 DECAY OF THE VELOCITY AUTOCORRELATION FUNCTION IN A 2D-FLUID
MA VANDERHOEF, D FRENKEL - Physical Review Letters (
1991)
66, 1591
(DOI:
10.1103/PhysRevLett.66.1591)
THERMODYNAMIC PROPERTIES OF BINARY HARD-SPHERE MIXTURES
WGT KRANENDONK, D FRENKEL - Molecular Physics (
1991)
72, 715
(DOI:
10.1080/00268979100100521)
FREE-ENERGY CALCULATIONS FOR SOLID-SOLUTIONS BY COMPUTER-SIMULATIONS
WGT KRANENDONK, D FRENKEL - Molecular Physics (
1991)
72, 699
(DOI:
10.1080/00268979100100511)
COMPUTER-SIMULATION OF SOLID LIQUID COEXISTENCE IN BINARY HARD-SPHERE MIXTURES
WGT KRANENDONK, D FRENKEL - Molecular Physics (
1991)
72, 679
(DOI:
10.1080/00268979100100501)
Melting line of Yukawa system by computer simulation
EJ MEIJER, D FRENKEL - The Journal of Chemical Physics (
1991)
94, 2269
(DOI:
10.1063/1.459898)
