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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COMPUTER-SIMULATION OF HARD-CORE MODELS FOR LIQUID-CRYSTALS
D FRENKEL - Molecular Physics (
1987)
60, 1
(DOI:
10.1080/00268978700100011)
Evidence for Smectic Order in a Fluid of Hard Parallel Spherocylinders
A STROOBANTS, HNW LEKKERKERKER, D FRENKEL - Physical Review Letters (
1986)
57, 1452
(DOI:
10.1103/PhysRevLett.57.1452)
Structure factors of polydisperse systems of hard spheres: A comparison of Monte Carlo simulations and Percus-Yevick theory
D FRENKEL, RJ VOS, CG DEKRUIF, A VRIJ - The Journal of Chemical Physics (
1986)
84, 4625
(DOI:
10.1063/1.449987)
Stability of the high-pressure body-centered-cubic phase of helium
D FRENKEL - Physical Review Letters (
1986)
56, 858
(DOI:
10.1103/PhysRevLett.56.858)
THE HARD ELLIPSOID-OF-REVOLUTION FLUID .2. THE Y-EXPANSION EQUATION OF STATE
BM MULDER, D FRENKEL - MOLECULAR PHYSICS (
1985)
55, 1193
(DOI:
10.1080/00268978500101981)
THE HARD ELLIPSOID-OF-REVOLUTION FLUID .1. MONTE-CARLO SIMULATIONS
D FRENKEL, BM MULDER - MOLECULAR PHYSICS (
1985)
55, 1171
(DOI:
10.1080/00268978500101971)
PHASE-DIAGRAM OF HARD ELLIPSOIDS OF REVOLUTION
D FRENKEL, BM MULDER, JP MCTAGUE - Molecular Crystals and Liquid Crystals (
1985)
123, 119
(DOI:
10.1080/00268948508074770)
Light scattering study of the statistical properties of nematic director fluctuations
D FRENKEL, MJ VANDORT, RJJ ZIJLSTRA - Physica A: Statistical Mechanics and its Applications (
1985)
131, 278
(DOI:
10.1016/0378-4371(85)90092-5)
EVIDENCE FOR ALGEBRAIC ORIENTATIONAL ORDER IN A 2-DIMENSIONAL HARD-CORE NEMATIC
D FRENKEL, R EPPENGA - Physical Review A (
1985)
31, 1776
(DOI:
10.1103/PhysRevA.31.1776)
APPROXIMATE RELATION BETWEEN THE MELTING OF HARD-SPHERES AND ELLIPSOIDAL PLATELETS AND NEEDLES
D FRENKEL - Molecular Physics (
1985)
54, 145
(DOI:
10.1080/00268978500100121)
