Zobrazeno 1 - 10
of 37
pro vyhledávání: '"Christian, Tantardini"'
Publikováno v:
ACS Omega, Vol 9, Iss 4, Pp 4594-4599 (2024)
Externí odkaz:
https://doaj.org/article/278d62c5c1c64defbd66a29a59662406
Autor:
Alexey S. Kotykhov, Konstantin Gubaev, Max Hodapp, Christian Tantardini, Alexander V. Shapeev, Ivan S. Novikov
Publikováno v:
Scientific Reports, Vol 13, Iss 1, Pp 1-10 (2023)
Abstract We propose a machine-learning interatomic potential for multi-component magnetic materials. In this potential we consider magnetic moments as degrees of freedom (features) along with atomic positions, atomic types, and lattice vectors. We cr
Externí odkaz:
https://doaj.org/article/7a56fdc1b6f84dafbbf837586c72bb70
Autor:
Christian Tantardini, Artem R. Oganov
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-9 (2021)
Pauling’s electronegativity scale has a fundamental value and uses accessible thermochemical data, but fails at predicting the bonding behavior for several elements. The authors propose their thermochemical scale based on experimental dissociation
Externí odkaz:
https://doaj.org/article/be4bf4705d6b473e847bc58fa19deed2
Autor:
Ksenia Babina, Maria Polyakova, Inna Sokhova, Vladlena Doroshina, Alexandr Zaytsev, Elena E. Nikonova, Gleb S. Budylin, Evgeny A. Shirshin, Christian Tantardini, Nina Novozhilova
Publikováno v:
Nanomaterials, Vol 12, Iss 24, p 4465 (2022)
We aimed to assess the influence of professional dental prophylaxis on the translucency and color stability of a novel simplified shade nanohybrid composite material. Sixty composite disks (5 mm in diameter and 2 mm thick) of light (n = 30) and dark
Externí odkaz:
https://doaj.org/article/ec221c5359014cc9aec8a294207d7bf1
Autor:
Christian Tantardini, Alexander G. Kvashnin, Maryam Azizi, Xavier Gonze, Carlo Gatti, Tariq Altalhi, Boris I. Yakobson
Publikováno v:
ACS Applied Materials & Interfaces, Vol. 15, no.12, p. 16317-16326 (2023)
Ultrathin diamond films, or diamanes, are promising quasi-2D materials that are characterized by high stiffness, extreme wear resistance, high thermal conductivity, and chemical stability. Surface functionalization of multilayer graphene with differe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5291abc7920b889793a61110e079cd48
https://doi.org/10.1021/acsami.3c01536
https://doi.org/10.1021/acsami.3c01536
Publikováno v:
Materials, Vol 15, Iss 9, p 3347 (2022)
Computational methods are increasingly used to support interpreting, assigning and predicting the solid-state nuclear resonance magnetic spectra of materials. Currently, density functional theory is seen to achieve a good balance between efficiency a
Externí odkaz:
https://doaj.org/article/fcd92459d43745afabc3a901862e7542
Autor:
Christian Tantardini, Artem R. Oganov
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-2 (2021)
Externí odkaz:
https://doaj.org/article/77c2c720adc94504a8cf60a1a87bfa10
Autor:
Christian Tantardini, Sergey G. Arkhipov, Ksenya A. Cherkashina, Alexander S. Kil'met'ev, Elena V. Boldyreva
Publikováno v:
Acta Crystallographica Section E: Crystallographic Communications, Vol 72, Iss 12, Pp 1856-1859 (2016)
The pharmaceutical 2:1 co-crystal of meloxicam [MXM; systematic name: 4-hydroxy-2-methyl-N-(5-methylthiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide] with acetylenedicarboxylic acid (ACA; systematic name: but-2-ynedioic acid), crystallize
Externí odkaz:
https://doaj.org/article/99f3208e4d344c7492c5625683b5a702
Autor:
Christian Tantardini, Roberto Di Remigio Eikås, Magnar Bjørgve, Stig Rune Jensen, Luca Frediani
New techniques in core-electron spectroscopy are necessary to solve the structures of oxides of f -elements and other stronglycorrelated materials that are present only as powders and not as single crystals. Thus, more accurate quantum chemicalmethod
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::07e5deeee5ebe520a5b2e3fcc9c85139
https://doi.org/10.21203/rs.3.rs-2955794/v1
https://doi.org/10.21203/rs.3.rs-2955794/v1
The challenge of achieving ultrafast switching of electric polarization in ferroelectric materials remains unsolved, as there is no experimental evidence of such switching to date. In this study, we have developed an enhanced model that describes swi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::058b3b5a34d97ab286876ae21726d540
https://doi.org/10.20944/preprints202305.0863.v1
https://doi.org/10.20944/preprints202305.0863.v1