176 citations · 1.9k across the 82 of their papers we have counts for
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Lattice thermal conductivity of graphene nanostructures
M. Saiz-Bretin, A. V. Malyshev, F. Dominguez-Adame +2
Non-equilibrium molecular dynamics is used to investigate the heat current due to the atomic lattice vibrations in graphene nanoribbons and nanorings under a thermal gradient. We c…
Touching proteins with virtual bare hands: how to visualize protein-drug complexes and their dynamics in virtual reality
Erick Martins Ratamero, Dom Bellini, Christopher G. Dowson +1
The ability to precisely visualize the atomic geometry of the interactions between a drug and its protein target in structural models is critical in predicting the correct modifica…
New allotropes of phosphorene with remarkable stability and intrinsic piezoelectricity
Zhenqing Li, Chaoyu He, Tao Ouyang +4
In this letter, we show that a new class of two-dimensional phosphorus allotropes can be constructed via assembling the previously proposed ultrathin metastable phosphorus nanotube…