UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 127

Sortiert nach

Big data of materials science: critical role of the descriptor

Physical review letters, 2015-03, Vol.114 (10), p.105503-105503, Article 105503

2015

Link zum Volltext

Verfügbarkeit prüfen

Learning physical descriptors for materials science by compressed sensing

New journal of physics, 2017-02, Vol.19 (2), p.23017

2017

Link zum Volltext

Verfügbarkeit prüfen

Uncovering structure-property relationships of materials by subgroup discovery

New journal of physics, 2017-01, Vol.19 (1), p.13031

2017

Link zum Volltext

Verfügbarkeit prüfen

The NOMAD Artificial-Intelligence Toolkit: turning materials-science data into knowledge and understanding

npj computational materials, 2022-12, Vol.8 (1), p.1-7, Article 250

2022

Link zum Volltext

Verfügbarkeit prüfen

Efficient ab initio schemes for finding thermodynamically stable and metastable atomic structures: benchmark of cascade genetic algorithms

New journal of physics, 2014-12, Vol.16 (12), p.123016-34

2014

Link zum Volltext

Verfügbarkeit prüfen

Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats

npj computational materials, 2017-11, Vol.3 (1), p.1-9, Article 46

2017

Link zum Volltext

Verfügbarkeit prüfen

Surface-induced crystallization in supercooled tetrahedral liquids

Nature materials, 2009-09, Vol.8 (9), p.726-730

2009

Link zum Volltext

Verfügbarkeit prüfen

Automatic identification of crystal structures and interfaces via artificial-intelligence-based electron microscopy

npj computational materials, 2023-10, Vol.9 (1), p.179-11, Article 179

2023

Link zum Volltext

Verfügbarkeit prüfen

Accelerating materials-space exploration for thermal insulators by mapping materials properties via artificial intelligence

npj computational materials, 2023-06, Vol.9 (1), p.112-12, Article 112

2023

Link zum Volltext

Verfügbarkeit prüfen

Not so loosely bound rare gas atoms: finite-temperature vibrational fingerprints of neutral gold-cluster complexes

New journal of physics, 2013-08, Vol.15 (8), p.83003-22

2013

Link zum Volltext

Verfügbarkeit prüfen

Phenylalanine near Inorganic Surfaces: Conformational Statistics vs Specific Chemistry

Journal of the American Chemical Society, 2008-02, Vol.130 (8), p.2634-2638

2008

Link zum Volltext

Verfügbarkeit prüfen

Identifying Outstanding Transition-Metal-Alloy Heterogeneous Catalysts for the Oxygen Reduction and Evolution Reactions via Subgroup Discovery

Topics in catalysis, 2022, Vol.65 (1-4), p.196-206

2022

Link zum Volltext

Verfügbarkeit prüfen

GAtor: A First-Principles Genetic Algorithm for Molecular Crystal Structure Prediction

Journal of chemical theory and computation, 2018-04, Vol.14 (4), p.2246-2264

2018

Link zum Volltext

Verfügbarkeit prüfen

Finding predictive models for singlet fission by machine learning

npj computational materials, 2022-04, Vol.8 (1), p.1-10, Article 70

2022

Link zum Volltext

Verfügbarkeit prüfen

Simultaneous learning of several materials properties from incomplete databases with multi-task SISSO

JPhys materials, 2019-04, Vol.2 (2), p.24002

2019

Link zum Volltext

Verfügbarkeit prüfen

TCMI: a non-parametric mutual-dependence estimator for multivariate continuous distributions

Data mining and knowledge discovery, 2022-09, Vol.36 (5), p.1815-1864

2022

Link zum Volltext

Verfügbarkeit prüfen

Data-driven equation for drug–membrane permeability across drugs and membranes

The Journal of chemical physics, 2021-06, Vol.154 (24), p.244114-244114

2021

Link zum Volltext

Verfügbarkeit prüfen

Free gold clusters: beyond the static, monostructure description

Faraday discussions, 2011, Vol.152, p.153-167

2011

Link zum Volltext

Verfügbarkeit prüfen

Correction to: Identifying Outstanding Transition-Metal-Alloy Heterogeneous Catalysts for the Oxygen Reduction and Evolution Reactions via Subgroup Discovery

Topics in catalysis, 2022, Vol.65 (1-4), p.207-207

2022

Link zum Volltext

Verfügbarkeit prüfen

Numerical quality control for DFT-based materials databases

npj computational materials, 2022-04, Vol.8 (1), p.1-8, Article 69

2022

Link zum Volltext

Verfügbarkeit prüfen

Ab Initio Approach for Thermodynamic Surface Phases with Full Consideration of Anharmonic Effects: The Example of Hydrogen at Si(100)

Physical review letters, 2022-06, Vol.128 (24), p.246101-246101, Article 246101

2022

Link zum Volltext

Verfügbarkeit prüfen

Stability and metastability of clusters in a reactive atmosphere: theoretical evidence for unexpected stoichiometries of MgMOx

Physical review letters, 2013-09, Vol.111 (13), p.135501-135501

2013

Link zum Volltext

Verfügbarkeit prüfen

Identifying consistent statements about numerical data with dispersion-corrected subgroup discovery

Data mining and knowledge discovery, 2017-09, Vol.31 (5), p.1391-1418

2017

Link zum Volltext

Verfügbarkeit prüfen

Publisher’s Note: “Data-driven equation for drug–membrane permeability across drugs and membranes” [J. Chem. Phys. 154, 244114 (2021)]

The Journal of chemical physics, 2021-07, Vol.155 (3), p.039901-039901

2021

Link zum Volltext

Verfügbarkeit prüfen

Recent advances in the SISSO method and their implementation in the SISSO++ code

The Journal of chemical physics, 2023-09, Vol.159 (11)

2023

Link zum Volltext

Verfügbarkeit prüfen

1 – 25 von 127

Suche als RSS-Feed

Aktive Filter

ThemaMultidisciplinary Sciences

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(112)
Mit Volltextzugriff
(125)

Publikationsform

Sprache

Erscheinungsjahr

n.n

Thema

Science & Technology
(92)
Physical Sciences
(73)
Physics
(54)
Materials Science
(39)
Technology
(38)
Materials Science, Multidisciplinary
(34)
Chemistry
(32)
Chemistry, Physical
(24)
Physics, Condensed Matter
(22)
Physics, Multidisciplinary
(20)
Physics, Applied
(17)
Artificial Intelligence
(10)
Exact Sciences And Technology
(10)
Clusters
(8)
Density Functional Theory
(8)
Life Sciences & Biomedicine
(8)
Machine Learning
(8)
Physics, Atomic, Molecular & Chemical
(8)
Superconductivity
(8)
Algorithms
(7)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 90 Tagen
(1)

Menü

Weitere Dienste

Einstellungen

Big data of materials science: critical role of the descriptor

Learning physical descriptors for materials science by compressed sensing

Uncovering structure-property relationships of materials by subgroup discovery

The NOMAD Artificial-Intelligence Toolkit: turning materials-science data into knowledge and understanding

Efficient ab initio schemes for finding thermodynamically stable and metastable atomic structures: benchmark of cascade genetic algorithms

Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats

Surface-induced crystallization in supercooled tetrahedral liquids

Automatic identification of crystal structures and interfaces via artificial-intelligence-based electron microscopy

Accelerating materials-space exploration for thermal insulators by mapping materials properties via artificial intelligence

Not so loosely bound rare gas atoms: finite-temperature vibrational fingerprints of neutral gold-cluster complexes

Phenylalanine near Inorganic Surfaces: Conformational Statistics vs Specific Chemistry

Identifying Outstanding Transition-Metal-Alloy Heterogeneous Catalysts for the Oxygen Reduction and Evolution Reactions via Subgroup Discovery

GAtor: A First-Principles Genetic Algorithm for Molecular Crystal Structure Prediction

Finding predictive models for singlet fission by machine learning

Simultaneous learning of several materials properties from incomplete databases with multi-task SISSO

TCMI: a non-parametric mutual-dependence estimator for multivariate continuous distributions

Data-driven equation for drug–membrane permeability across drugs and membranes

Free gold clusters: beyond the static, monostructure description

Correction to: Identifying Outstanding Transition-Metal-Alloy Heterogeneous Catalysts for the Oxygen Reduction and Evolution Reactions via Subgroup Discovery

Numerical quality control for DFT-based materials databases

Ab Initio Approach for Thermodynamic Surface Phases with Full Consideration of Anharmonic Effects: The Example of Hydrogen at Si(100)

Stability and metastability of clusters in a reactive atmosphere: theoretical evidence for unexpected stoichiometries of MgMOx

Identifying consistent statements about numerical data with dispersion-corrected subgroup discovery

Publisher’s Note: “Data-driven equation for drug–membrane permeability across drugs and membranes” [J. Chem. Phys. 154, 244114 (2021)]

Recent advances in the SISSO method and their implementation in the SISSO++ code

Aktive Filter

Suchergebnisse filtern