407 citations · 2.7k across the 50 of their papers we have counts for
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Low-Energy Polymeric Phases of Alanates
Tran Doan Huan, Maximilian Amsler, Miguel A. L. Marques +3
Low-energy structures of alanates are currently known to be described by patterns of isolated, nearly ideal tetrahedral [AlH] anions and metal cations. We discover that the nov…
Speeding up the solution of the Bethe-Salpeter equation by a double-grid method and Wannier interpolation
David Kammerlander, Silvana Botti, Miguel A. L. Marques +2
The Bethe-Salpeter equation is a widely used approach to describe optical excitations in bulk semiconductors. It leads to spectra that are in very good agreement with experiment, b…
Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications
Silvana Botti, José A. Flores-Livas, Maximilian Amsler +2
We present state-of-the-art first-principle calculations of the electronic and optical properties of silicon allotropes with interesting characteristics for applications in thin-fi…
Prediction of a novel monoclinic carbon allotrope
Maximilian Amsler, José A. Flores-Livas, Silvana Botti +2
A novel allotrope of carbon with symmetry was identified during an \emph{ab-initio} minima-hopping structural search which we call -carbon. This structure is predicted…