Zobrazeno 1 - 10
of 115
pro vyhledávání: '"Marco Arrigoni"'
Autor:
Marco Arrigoni, Georg K. H. Madsen
Publikováno v:
npj Computational Materials, Vol 7, Iss 1, Pp 1-13 (2021)
Abstract Density functional theory (DFT) has become a standard tool for the study of point defects in materials. However, finding the most stable defective structures remains a very challenging task as it involves the solution of a multimodal optimiz
Externí odkaz:
https://doaj.org/article/a88de3e9469f4940a039fdef29558a9d
Publikováno v:
Casabella; abr2008 Supplement, p18-21, 4p, 24 Black and White Photographs, 2 Diagrams
Autor:
Ralf Wanzenböck, Marco Arrigoni, Sebastian Bichelmaier, Florian Buchner, Jesús Carrete, Georg K. H. Madsen
Publikováno v:
Digital Discovery. 1:703-710
The covariance matrix adaptation evolution strategy (CMA-ES) and a fully automatically differentiable, transferable neural-network force field are combined to explore TiOx overlayer structures on SrTiO3(110) 3×1, 4×1 and 5×1 surfaces.
Publikováno v:
Multiphoton Microscopy in the Biomedical Sciences XXIII.
Autor:
Dominik Eder, Georg K. H. Madsen, Elias Tanuhadi, Sreejith P. Nandan, Emir Al-Sayed, Annette Rompel, Alexey Cherevan, Gerald Giester, Marco Arrigoni
Publikováno v:
Chemsuschem
The ever‐growing interest in sustainable energy sources leads to a search for an efficient, stable, and inexpensive homogeneous water oxidation catalyst (WOC). Herein, the PO4 3− templated synthesis of three abundant‐metal‐based germanotungst
Publikováno v:
Laser Technology for Defense and Security XVII.
Autor:
Marco Arrigoni, Timothy S. McComb
Publikováno v:
Laser Technology for Defense and Security XVII.
Autor:
Marco Arrigoni, Darryl McCoy
Publikováno v:
Multiphoton Microscopy in the Biomedical Sciences XXII.
Autor:
Jean-Luc Tapié, Marco Arrigoni
Publikováno v:
PhotonicsViews. 16:78-82
Publikováno v:
Physical Review B. 103
We investigate the cubic-to-tetragonal ferroelectric phase transition temperature ${T}_{c}$ of $\mathrm{Ba}\mathrm{Ti}{\mathrm{O}}_{3}$ through a first-principles self-consistent phonon scheme. This method extends the harmonic approximation by incorp