63 citations · 63 across the 4 of their papers we have counts for
11 papers
Accelerated dynamics with the dynamical activation-relaxation technique
G. T. Barkema, Normand Mousseau
The dynamics of many atomic systems is controlled by activated events taking place on a time scale which is long compared to that associated with thermal vibrations. This often pla…
Efficient sampling in complex materials at finite temperature: the thermodynamically-weighted activation-relaxation technique
Normand Mousseau, G. T. Barkema
We present an accelerated algorithm that samples correctly the thermodynamic ensemble in complex systems where the dynamics is controlled by activation barriers. The efficiency of…
Nucleation times in the 2D Ising model
K. Brendel, G. T. Barkema, H. van Beijeren
A theoretical framework is presented for the estimation of nucleation times in systems with Brownian type dynamics. This framework is applied to a prototype system: the two-dimensi…
Large well-relaxed models of vitreous silica, coordination numbers and entropy
R. L. C. Vink, G. T. Barkema
A Monte Carlo method is presented for the simulation of vitreous silica. Well-relaxed networks of vitreous silica are generated containing up to 300,000 atoms. The resulting networ…
Configurational entropy of network-forming materials
R. L. C. Vink, G. T. Barkema
We present a computationally efficient method to calculate the configurational entropy of network-forming materials. The method requires only the atomic coordinates and bonds of a…
Towards device-size atomistic models of amorphous silicon
R. L. C. Vink, G. T. Barkema, M. A. Stijnman +1
The atomic structure of amorphous materials is believed to be well described by the continuous random network model. We present an algorithm for the generation of large, high-quali…