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 crystal nucleation of parallel hard spherocylinders
JAC VEERMAN, D FRENKEL - Physica A: Statistical Mechanics and its Applications (
1989)
156, 599
(DOI:
10.1016/0378-4371(89)90083-6)
Computation of partial enthalpies of various Lennard-Jones model mixtures by NPT molecular dynamics
R VOGELSANG, C HOHEISEL, P SINDZINGRE, G CICCOTTI, D FRENKEL - Journal of Physics: Condensed Matter (
1989)
1, 957
(DOI:
10.1088/0953-8984/1/5/012)
Calculation of partial enthalpies of an argon-krypton mixture by NPT molecular dynamics
P SINDZINGRE, C MASSOBRIO, G CICCOTTI, D FRENKEL - Chemical Physics (
1989)
129, 213
(DOI:
10.1016/0301-0104(89)80007-2)
Smectic ordering in nematic and smectic liquid-crystalline films probed by means of surface light scattering
A BOTTGER, D FRENKEL, JGH JOOSTEN, G KROOSHOF - Physical Review A (
1988)
38, 6316
(DOI:
10.1103/PhysRevA.38.6316)
Dynamics of the Frederiks transition in nematics consisting of disc-like molecules Thermal dependence of a bend viscosity coefficient
TW WARMERDAM, D FRENKEL, RJJ ZIJLSTRA - Liquid Crystals (
1988)
3, 1105
(DOI:
10.1080/02678298808086565)
DISCOTIC LIQUID-CRYSTALS - PHYSICAL PARAMETERS OF SOME 2,3,7,8,12,13-HEXA(ALKANOYLOXY)TRUXENES - OBSERVATION OF A RE-ENTRANT ISOTROPIC-PHASE IN A PURE DISC-LIKE MESOGEN
TW WARMERDAM, RJM NOLTE, W DRENTH, JC VANMILTENBURG, D FRENKEL, RJJ ZIJLSTRA - Liquid Crystals (
1988)
3, 1087
(DOI:
10.1080/02678298808086564)
Simulation of the adhesive-hard-sphere model
WGT KRANENDONK, D FRENKEL - Molecular Physics (
1988)
64, 403
(DOI:
10.1080/00268978800100303)
Structure of hard-core models for liquid crystals
D FRENKEL - The Journal of Physical Chemistry (
1988)
92, 3280
(DOI:
10.1021/j100322a042)
Thermodynamic stability of a smectic phase in a system of hard rods
D FRENKEL, HNW LEKKERKERKER, A STROOBANTS - Nature (
1988)
332, 822
(DOI:
10.1038/332822a0)
