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of 99
pro vyhledávání: '"Nattino, Francesco"'
Autor:
Coogan, Adam, Montel, Noemi Anau, Karchev, Konstantin, Grootes, Meiert W., Nattino, Francesco, Weniger, Christoph
Analyses of extended arcs in strong gravitational lensing images to date have constrained the properties of dark matter by measuring the parameters of one or two individual subhalos. However, since such analyses are reliant on likelihood-based method
Externí odkaz:
http://arxiv.org/abs/2209.09918
Autor:
Cole, Alex, Miller, Benjamin Kurt, Witte, Samuel J., Cai, Maxwell X., Grootes, Meiert W., Nattino, Francesco, Weniger, Christoph
Sampling-based inference techniques are central to modern cosmological data analysis; these methods, however, scale poorly with dimensionality and typically require approximate or intractable likelihoods. In this paper we describe how Truncated Margi
Externí odkaz:
http://arxiv.org/abs/2111.08030
Autor:
Nattino, Francesco, Marzari, Nicola
Efficient electro-catalytic water-splitting technologies require suitable catalysts for the oxygen evolution reaction (OER). The development of novel catalysts could benefit from the achievement of a complete understanding of the reaction mechanism o
Externí odkaz:
http://arxiv.org/abs/1912.09769
Autor:
Koma, Zsófia, Seijmonsbergen, Arie C., Grootes, Meiert W., Nattino, Francesco, Groot, Jim, Sierdsema, Henk, Foppen, Ruud P. B., Kissling, W. Daniel
Publikováno v:
Diversity and Distributions, 2022 Apr 01. 28(4), 685-699.
Externí odkaz:
https://www.jstor.org/stable/48654000
Autor:
Nattino, Francesco, Meyer, Jörg
We present calculations on the damping of a low-frequency adsorbate mode on a metal surface, namely the frustrated translation of Na on Cu(100). For the first time, vibrational lifetimes of excited adlayers are extracted from non-equilibrium molecula
Externí odkaz:
http://arxiv.org/abs/1906.11776
Publikováno v:
J. Chem. Theory Comput. 11, 6313-6322 (2019)
Standard flavors of density-functional theory (DFT) calculations are known to fail in describing anions, due to large self-interaction errors. The problem may be circumvented by using localized basis sets of reduced size, leaving no variational flexi
Externí odkaz:
http://arxiv.org/abs/1906.00822
Autor:
Katayama, Yu, Nattino, Francesco, Giordano, Livia, Hwang, Jonathan, Rao, Reshma R., Andreussi, Oliviero, Marzari, Nicola, Shao-Horn, Yang
Publikováno v:
J. Phys. Chem. C 123, 5951 (2019)
The CO_{2} electro-reduction reaction (CORR) is a promising avenue to convert greenhouse gases into high-value fuels and chemicals, in addition to being an attractive method for storing intermittent renewable energy. Although polycrystalline Cu surfa
Externí odkaz:
http://arxiv.org/abs/1904.11299
Autor:
Andreussi, Oliviero, Hörmann, Nicolas Georg, Nattino, Francesco, Fisicaro, Giuseppe, Goedecker, Stefan, Marzari, Nicola
Continuum models to handle solvent and electrolyte effects in an effective way have a long tradition in quantum-chemistry simulations and are nowadays also being introduced in computational condensed-matter and materials simulations. A key ingredient
Externí odkaz:
http://arxiv.org/abs/1901.08138
Publikováno v:
J. Chem. Phys. 150, 041722 (2019)
Continuum electrolyte models represent a practical tool to account for the presence of the diffuse layer at electrochemical interfaces. However, despite the increasing popularity of these in the field of materials science it remains unclear which fea
Externí odkaz:
http://arxiv.org/abs/1810.09797
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