44 citations · 58 across the 3 of their papers we have counts for
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Probing potential energy surface exploration strategies for complex systems
Gawonou Kokou N'Tsouaglo, Laurent Karim Béland, Jean-François Joly +3
The efficiency of minimum-energy configuration searching algorithms is closely linked to the energy landscape structure of complex systems. Here we characterize this structure by f…
Understanding long-time vacancy aggregation in iron: a kinetic activation-relaxation technique study
Peter Brommer, Laurent Karim Béland, Jean-François Joly +1
Vacancy diffusion and clustering processes in body-centered-cubic (bcc) Fe are studied using the kinetic activation-relaxation technique (k-ART), an off-lattice kinetic Monte Carlo…
Influence of polarizability on metal oxide properties studied by molecular dynamics simulations
Philipp Beck, Peter Brommer, Johannes Roth +1
We have studied the dependence of metal oxide properties in molecular dynamics (MD) simulations on the polarizability of oxygen ions. We present studies of both liquid and crystall…