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pro vyhledávání: '"A. Kresse"'
Akademický článek
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Autor:
Brunotti, Irene
Katika mapitio hayo, Irene Brunotti aliye Mhadhiri wa Lugha na Taaluma za Kiswahili na Mtafiti wa Chuo Kikuu cha Leipzig anausifu umakinifu wa uchambuzi wa hadhara za Kiislamu za Waswahili uliofanywa na Kai Kresse katika kitabu chake. Anatoa hoja mba
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https://ul.qucosa.de/id/qucosa%3A72140
https://ul.qucosa.de/api/qucosa%3A72140/attachment/ATT-0/
https://ul.qucosa.de/api/qucosa%3A72140/attachment/ATT-0/
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
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Autor:
Cao, Yu, Wang, Jiantao, Liu, Mingfeng, Liu, Yan, Ma, Hui, Franchini, Cesare, Sun, Yan, Kresse, Georg, Chen, Xing-Qiu, Liu, Peitao
We revisit the long-standing question of whether water molecules dissociate on the Ru(0001) surface through nanosecond-scale path-integral molecular dynamics simulations on a sizable supercell. This is made possible through the development of an effi
Externí odkaz:
http://arxiv.org/abs/2412.00484
Autor:
Wang, Yanyong, Engel, Manuel, Lane, Christopher, Miranda, Henrique, Hou, Lin, Barbiellini, Bernardo, Markiewicz, Robert S., Zhu, Jian-Xin, Kresse, Georg, Bansil, Arun, Sun, Jianwei, Zhang, Ruiqi
Electron-phonon coupling (EPC) is key for understanding many properties of materials such as superconductivity and electric resistivity. Although first principles density-functional-theory (DFT) based EPC calculations are used widely, their efficacy
Externí odkaz:
http://arxiv.org/abs/2411.08192
Autor:
Varrassi, Lorenzo, Ellinger, Florian, Flage-Larsen, Espen, Wolloch, Michael, Kresse, Georg, Marzari, Nicola, Franchini, Cesare
The GW approximation represents the state-of-the-art ab-initio method for computing excited-state properties. Its execution requires control over a larger number of (often interdependent) parameters, and therefore its application in high-throughput s
Externí odkaz:
http://arxiv.org/abs/2410.15948
Autor:
Unzog, Martin, Tal, Alexey, Melo, Pedro, Senga, Ryosuke, Suenaga, Kazu, Pichler, Thomas, Kresse, Georg
We investigate the relationship between the K-edge fine structure of isolated single-wall carbon nanotubes (SWCNTs) and the Van Hove singularities (VHSs) in the conduction band density of states. To this end, we model X-ray absorption spectra of SWCN
Externí odkaz:
http://arxiv.org/abs/2409.17619
Constructing a self-consistent first-principles framework that accurately predicts the properties of electron transfer reactions through finite-temperature molecular dynamics simulations is a dream of theoretical electrochemists and physical chemists
Externí odkaz:
http://arxiv.org/abs/2409.11000
This paper introduces a new version of the smoothly trimmed mean with a more general version of weights, which can be used as an alternative to the classical trimmed mean. We derive its asymptotic variance and to further investigate its properties we
Externí odkaz:
http://arxiv.org/abs/2409.05631