Ab initio simulations of silicene hydrogenation

The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation

José M. Soler, Emilio Artacho, Julian D. Gale et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text

Natural Sciences, Chemistry, Physics +17

A molecular dynamics method for simulations in the canonical ensemble

Shūichi Nosé · Molecular Physics · 1984 · 10.1K citations

Natural Sciences, Chemistry, Physics +15

Control of Graphene's Properties by Reversible Hydrogenation: Evidence for Graphane

D. C. Elias, Rahul R. Nair, Tariq Mohiuddin et al. · Science · 2009 · 4.2K citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Two- and One-Dimensional Honeycomb Structures of Silicon and Germanium

Seymur Cahangirov, Mehmet Topsakal, Ethem Aktürk et al. · Physical Review Letters · 2009 · 3.4K citations · Full text

Natural Sciences, Materials Science, Physics +17

Self-consistent order-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>N</mml:mi></mml:math>density-functional calculations for very large systems

Pablo Ordejón, Emilio Artacho, José M. Soler · Physical review. B, Condensed matter · 1996 · 2.6K citations · Full text

Natural Sciences, Chemistry, Physics +17