26 citations · 97 across the 6 of their papers we have counts for
3 papers · 1 filter
Defect-induced magnetism in graphite through neutron irradiation
Yutian Wang, Pascal Pochet, Catherine A. Jenkins +5
We have investigated the variation in the magnetization of highly ordered pyrolytic graphite (HOPG) after neutron irradiation, which introduces defects in the bulk sample and conse…
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…
Strain effect and intermixing at the Si surface: A hybrid quantum and molecular mechanics study
Laurent Karim Béland, Eduardo Machado-Charry, Pascal Pochet +1
We investigate Ge mixing at the Si(001) surface and characterize the Si(001) reconstruction by means of hybrid quantum and molecular mechanics calculations (QM/MM). Avo…