Zobrazeno 1 - 10
of 47
pro vyhledávání: '"Kraisler E"'
Publikováno v:
J. Phys. Chem. Lett. 2017, 8, 24, 5974-5980
The reliability of density-functional calculations hinges on accurately approximating the unknown exchange-correlation (xc) potential. Common (semi-)local xc approximations lack the jump experienced by the exact xc potential as the number of electron
Externí odkaz:
http://arxiv.org/abs/1706.00586
Publikováno v:
Strongly Coupled Coulomb Systems 2022, 24.-29.07.2022, Görlitz, Deutschland
The mean ionization state (MIS) is a critical property in dense plasma and warm dense matter research. It is used (for example) as an input parameter in various models, including for example the calculation of adiabats in inertial confinement fusion;
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______4577::e7ef0808bb05b9ddf4059351f77fe885
https://www.hzdr.de/publications/Publ-34451-1
https://www.hzdr.de/publications/Publ-34451-1
Publikováno v:
APS March Meeting 2022, 15.03.2022, Chicago, USA
Density-functional average-atom (AA) models are an important tool in simulations of the warm dense matter (WDM) regime, because they account for quantum interactions at favourable computational cost. AA models are typically based on a common premise
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______4577::b9bd2d4cc0a9e3748ce0e26c7485424d
https://www.hzdr.de/publications/Publ-34414-1
https://www.hzdr.de/publications/Publ-34414-1
Publikováno v:
Multiscale Modeling of Matter under Extreme Conditions, 11.-16.09.2022, Görlitz, Deutschland
Average-atom models are an essential tool in modelling the warm dense matter regime, because they can be used to compute key quantities, such as equation-of-state data, for a fraction of the computational cost of higher-fidelity simulations such as D
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______4577::6b8fc27436f5a6462280d44268d7bef2
https://www.hzdr.de/publications/Publ-35255-1
https://www.hzdr.de/publications/Publ-35255-1
Publikováno v:
DFT Methods for Matter under Extreme Conditions, 21.02.2022, Görlitz, Deutschland
Average-atom (AA) models are an important tool in the modelling of warm dense matter, being both a computationally cheap and conceptually straightforward alternative to full DFT MD simulations. AA models are typically based on a common premise - name
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______4577::6c7b3e8738383f04c75a7429449d3a77
https://www.hzdr.de/publications/Publ-34415-1
https://www.hzdr.de/publications/Publ-34415-1
Publikováno v:
Publication year 2022License: Creative Commons Attribution 4.0 International Public License (Link to license text) Hosted on ZENODO: Link to location
Data for the pre-print "First-principles derivation and properties of density-functional average-atom models", https://arxiv.org/abs/2103.09928. Each data folder is named according to the corresponding figure in the paper. For any questions, please c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______4577::dbafac540b3c0ac8070e3160af38897d
https://www.hzdr.de/publications/Publ-34337-1
https://www.hzdr.de/publications/Publ-34337-1
Publikováno v:
Big data analytical methods for complex systems, 06.-07.10.2022, Wrocław, Rzeczpospolita Polska
The study of warm dense matter (WDM) is critical to our understanding of many interesting scientific and technological phenomena, in particular various astrophysical applications, and inertial confinement fusion. To develop accurate models for WDM, o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______4577::69229d9659b37a6b7cf1f7c1267260a3
https://www.hzdr.de/publications/Publ-35256-1
https://www.hzdr.de/publications/Publ-35256-1
Publikováno v:
APS March Meeting 2021, 15.-19.03.2021, Virtual, USA
In simulations of the warm dense matter regime, it is typical to use a combined finite-temperature Kohn-Sham density-functional theory (KS-DFT) and molecular dynamics approach. However, in KS-DFT, (i) scaling worsens with increasing temperature, and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______4577::30f448c1d8c0fcddf26a8ff0d096812f
https://www.hzdr.de/publications/Publ-33613-1
https://www.hzdr.de/publications/Publ-33613-1
Publikováno v:
Publication year 2021Programming language: PythonSystem requirements: n/aLicense: BSD 3-ClauseHosted on GitHub: Link to location
atoMEC is a python-based average-atom code for simulations of high energy density phenomena such as in warm dense matter. It is designed as an open-source and modular python package. atoMEC uses Kohn-Sham density functional theory, in combination wit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______4577::d26521a8fd5948f62f3aef42a7c01663
https://www.hzdr.de/publications/Publ-33605-1
https://www.hzdr.de/publications/Publ-33605-1
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