Zobrazeno 1 - 10
of 148
pro vyhledávání: '"Fabio Finocchi"'
Publikováno v:
Entropy, Vol 26, Iss 1, p 55 (2024)
There was an error in the original publication [...]
Externí odkaz:
https://doaj.org/article/e6731361993a46cbb8372f1c51fd863d
Publikováno v:
Entropy, Vol 25, Iss 2, p 347 (2023)
Nested sampling is an efficient method for calculating Bayesian evidence in data analysis and partition functions of potential energies. It is based on an exploration using a dynamical set of sampling points that evolves to higher values of the sampl
Externí odkaz:
https://doaj.org/article/e7f9dd1e8e584503aa6563cd5606a0a0
Publikováno v:
Applied Sciences, Vol 12, Iss 9, p 4756 (2022)
This paper reviews methods that aim at simulating nuclear quantum effects (NQEs) using generalized thermal baths. Generalized (or quantum) baths simulate statistical quantum features, and in particular zero-point energy effects, through non-Markovian
Externí odkaz:
https://doaj.org/article/0f74304464e949e497997c45709028e8
Publikováno v:
The Journal of Physical Chemistry C. 125:25841-25850
Here we present a combined theoretical and experimental study of hydrogen adsorption on Zn-functionalized MgO surface. We have systematically compared infrared spectra recorded at increasing hydrog...
Autor:
Stefania Benedetti, Alexandra Toumar, Edouard Touzé, Sebastián Castilla, Yael Bronstein, Ilaria Valenti, Rémi Lazzari, Sergio Valeri, Fabio Finocchi
Publikováno v:
The Journal of Physical Chemistry C. 124:6130-6140
The morphology, epitaxy, band-alignment and optical response of silver nanoparticles on ZnO(1010) has been analysed by microscopy, photoemission, electron diraction and dier-ential reectivity. At 700 K, clusters tend to nu-cleate and grow exclusively
Publikováno v:
Journal of Physical Chemistry C
Journal of Physical Chemistry C, American Chemical Society, 2021, 125 (40), pp.22328-22334. ⟨10.1021/acs.jpcc.1c06953⟩
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
Journal of Physical Chemistry C, American Chemical Society, 2021, 125 (40), pp.22328-22334. ⟨10.1021/acs.jpcc.1c06953⟩
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
Crystalline KOH undergoes an antiferroelectric (AFE) proton ordering phase transition at low temperatures, which results in a monoclinic bilayer structure held together by a network of weak hydrogen bonds (HBs). The Curie temperature shifts up when t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4dab9b5e5ea9aa1471a762966d5e8153
https://hal.archives-ouvertes.fr/hal-03418844
https://hal.archives-ouvertes.fr/hal-03418844
Publikováno v:
Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2021, 155 (10), pp.104108. ⟨10.1063/5.0056824⟩
Journal of Chemical Physics, American Institute of Physics, 2021, 155 (10), pp.104108. ⟨10.1063/5.0056824⟩
The performance of different approximate algorithms for computing anharmonic features in vibrational spectra is analyzed and compared on model and more realistic systems that present relevant nuclear quantum effects. The methods considered combine ap
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a0adc96060d6e265bd4a7ed78827bc9b
https://hal.sorbonne-universite.fr/hal-03356141
https://hal.sorbonne-universite.fr/hal-03356141
Publikováno v:
EPJ Web of Conferences. 263:01014
Electronic properties of materials are dominated by quantum effects, but nuclei, being much heavier, are usually treated as classical particles. This approximation, although tremendously convenient, is not always valid, even in close to ambient press
Autor:
Pietro Calandra, Valeria La Parola, Vincenzo Turco Liveri, Elefterios Lidorikis, Fabio Finocchi
Publikováno v:
Journal of Chemistry, Vol 2013 (2013)
Externí odkaz:
https://doaj.org/article/22bb2573bcb04306861d2187f6596f44
Publikováno v:
Scientific Reports
Scientific Reports, Nature Publishing Group, 2020, 10 (1), ⟨10.1038/s41598-020-64813-8⟩
Scientific Reports, Vol 10, Iss 1, Pp 1-10 (2020)
Scientific Reports, Nature Publishing Group, 2020, 10 (1), ⟨10.1038/s41598-020-64813-8⟩
Scientific Reports, Vol 10, Iss 1, Pp 1-10 (2020)
International audience; Transport of hydrogen in hydrous minerals under high pressure is a key step for the water cycle within the Earth interior. Brucite Mg(OH) 2 is one of the simplest minerals containing hydroxyl groups and is believed to decompos