Development of machine learning enhanced density functional tight binding parametrization
- Location
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Deutsche Nationalbibliothek Frankfurt am Main
- Extent
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Online-Ressource
- Language
-
Englisch
- Notes
-
Bremen, Universität Bremen, Dissertation, 2023
- Keyword
-
Dichtefunktionalformalismus
Maschinelles Lernen
- Event
-
Veröffentlichung
- (where)
-
Bremen
- (who)
-
Staats- und Universitätsbibliothek Bremen
- (when)
-
2023
- Creator
-
Fan, Guozheng
- Contributor
- DOI
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10.26092/elib/2670
- URN
-
urn:nbn:de:gbv:46-elib74461
- Rights
-
Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Last update
-
14.08.2025, 11:00 AM CEST
Data provider
This object is provided by:
Deutsche Nationalbibliothek. If you have any questions about the object, please contact the data provider.
Deutsche Nationalbibliothek. If you have any questions about the object, please contact the data provider.
Associated
- Fan, Guozheng
- Bálint, Aradi
- Frauenheim, Thomas
- Niehaus, Thomas
- Staats- und Universitätsbibliothek Bremen
Time of origin
- 2023
Other Objects (12)
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Improvements to the density-functional tight-binding method : new, efficient parametrization schemes and prospects of a more precise self-consistency
Improvements to the Density-Functional Tight-Binding method: new, efficient parametrization schemes and prospects of a more precise self-consistency
Environment-dependent crystal-field tight-binding based on density-functional theory : = Umgebungsabhängiges Kristallfeld-Tight-Binding basierend auf Dichtefunktionaltheorie
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Range-separated hybrid functionals in the density functional-based tight-binding method
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Density Functional‐Based Tight‐Binding Simulations of Pristine and Aluminum‐Modified Silica
Density-functional tight-binding calculations on the structure of complex boron nitride systems
Density-Functional Tight-Binding Calculations on the Structure of Complex Boron Nitride Systems
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Improvements of the Density-Functional Tight-Binding Parameters and Their Application in Histidine Kinase
Parametrization in Computational Materials Science: Force Fields for Physisorption and Density-Functional-based Tight-Binding Method for Electronic Structure
Improvements to the density-functional tight-binding method : new, efficient parametrization schemes and prospects of a more precise self-consistency
Improvements to the Density-Functional Tight-Binding method: new, efficient parametrization schemes and prospects of a more precise self-consistency
Environment-dependent crystal-field tight-binding based on density-functional theory : = Umgebungsabhängiges Kristallfeld-Tight-Binding basierend auf Dichtefunktionaltheorie
Environment-dependent crystal-field tight-binding based on density-functional theory
Range-separated hybrid functionals in the density functional-based tight-binding method
Hybrid functionals for periodic systems in the density functional tight-binding method
Density Functional‐Based Tight‐Binding Simulations of Pristine and Aluminum‐Modified Silica
Density-functional tight-binding calculations on the structure of complex boron nitride systems
Density-Functional Tight-Binding Calculations on the Structure of Complex Boron Nitride Systems
Implementation, parametrization and evaluation of van der Waals density functionals
Improvements of the Density-Functional Tight-Binding Parameters and Their Application in Histidine Kinase
Parametrization in Computational Materials Science: Force Fields for Physisorption and Density-Functional-based Tight-Binding Method for Electronic Structure
Improvements to the density-functional tight-binding method : new, efficient parametrization schemes and prospects of a more precise self-consistency
Improvements to the Density-Functional Tight-Binding method: new, efficient parametrization schemes and prospects of a more precise self-consistency
Environment-dependent crystal-field tight-binding based on density-functional theory : = Umgebungsabhängiges Kristallfeld-Tight-Binding basierend auf Dichtefunktionaltheorie
Environment-dependent crystal-field tight-binding based on density-functional theory
Range-separated hybrid functionals in the density functional-based tight-binding method
Hybrid functionals for periodic systems in the density functional tight-binding method
Density Functional‐Based Tight‐Binding Simulations of Pristine and Aluminum‐Modified Silica
Density-functional tight-binding calculations on the structure of complex boron nitride systems
Density-Functional Tight-Binding Calculations on the Structure of Complex Boron Nitride Systems
Implementation, parametrization and evaluation of van der Waals density functionals