UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 378

Sortiert nach

Efficient calculation of carrier scattering rates from first principles

Nature communications, 2021-04, Vol.12 (1), p.2222-2222, Article 2222

2021

Volltextzugriff (PDF)

A transferable machine-learning framework linking interstice distribution and plastic heterogeneity in metallic glasses

Nature communications, 2019-12, Vol.10 (1), p.5537-11, Article 5537

2019

Volltextzugriff (PDF)

Benchmarking materials property prediction methods: the Matbench test set and Automatminer reference algorithm

npj computational materials, 2020-09, Vol.6 (1), Article 138

2020

Volltextzugriff (PDF)

When band convergence is not beneficial for thermoelectrics

Nature communications, 2021-06, Vol.12 (1), p.3425-8, Article 3425

2021

Volltextzugriff (PDF)

New opportunities for materials informatics: Resources and data mining techniques for uncovering hidden relationships

Journal of materials research, 2016-04, Vol.31 (8), p.977-994

2016

Volltextzugriff (PDF)

Recent advances and applications of deep learning methods in materials science

npj computational materials, 2022-04, Vol.8 (1), p.1-26, Article 59

2022

Volltextzugriff (PDF)

A critical examination of compound stability predictions from machine-learned formation energies

npj computational materials, 2020-07, Vol.6 (1), Article 97

2020

Volltextzugriff (PDF)

A framework for quantifying uncertainty in DFT energy corrections

Scientific reports, 2021-07, Vol.11 (1), p.15496-15496, Article 15496

2021

Volltextzugriff (PDF)

Evaluation of Tavorite-Structured Cathode Materials for Lithium-Ion Batteries Using High-Throughput Computing

Chemistry of materials, 2011-09, Vol.23 (17), p.3854-3862

2011

Volltextzugriff (PDF)

A simple model for the entropy of melting of monatomic liquids

Applied physics letters, 2021-02, Vol.118 (8)

2021

Volltextzugriff (PDF)

Local structure order parameters and site fingerprints for quantification of coordination environment and crystal structure similarity

RSC advances, 2020-02, Vol.10 (10), p.6063-6081

2020

Volltextzugriff (PDF)

Spinel compounds as multivalent battery cathodes: a systematic evaluation based on ab initio calculations

Energy & environmental science, 2015-01, Vol.8 (3), p.964-974

2015

Volltextzugriff (PDF)

Data Mined Ionic Substitutions for the Discovery of New Compounds

Inorganic chemistry, 2011-01, Vol.50 (2), p.656-663

2011

Volltextzugriff (PDF)

Matminer: An open source toolkit for materials data mining

Computational materials science, 2018-09, Vol.152 (C), p.60-69

2018

Volltextzugriff (PDF)

Finding Nature’s Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory

Chemistry of materials, 2010-06, Vol.22 (12), p.3762-3767

2010

Volltextzugriff (PDF)

Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials

Energy & environmental science, 2011-01, Vol.4 (9), p.3680-3688

2011

Volltextzugriff (PDF)

A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds

Scientific reports, 2016-10, Vol.6 (1), p.34256-34256, Article 34256

2016

Volltextzugriff (PDF)

Research Update: The materials genome initiative: Data sharing and the impact of collaborative ab initio databases

APL materials, 2016-05, Vol.4 (5), p.053102-053102-14

2016

Volltextzugriff (PDF)

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

Computational materials science, 2013-02, Vol.68, p.314-319

2013

Volltextzugriff (PDF)

Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput ab Initio Calculations

Chemistry of materials, 2011-08, Vol.23 (15), p.3495-3508

2011

Volltextzugriff (PDF)

Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows

Computational materials science, 2017-11, Vol.139 (C), p.140-152

2017

Volltextzugriff (PDF)

Assessing High-Throughput Descriptors for Prediction of Transparent Conductors

Chemistry of materials, 2018-11, Vol.30 (22), p.8375-8389

2018

Volltextzugriff (PDF)

Robocrystallographer: automated crystal structure text descriptions and analysis

MRS communications, 2019-09, Vol.9 (3), p.874-881

2019

Volltextzugriff (PDF)

Evaluation of sulfur spinel compounds for multivalent battery cathode applications

Energy & environmental science, 2016-01, Vol.9 (1), p.321-329

2016

Volltextzugriff (PDF)

Screening of bimetallic electrocatalysts for water purification with machine learning

The Journal of chemical physics, 2022-08, Vol.157 (7), p.074102-074102

2022

Volltextzugriff (PDF)

1 – 25 von 378

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(276)
Mit Volltextzugriff
(338)

Publikationsform

2 weitere anzeigen...

Weniger anzeigen...

Sprache

Erscheinungsjahr

n.n

Thema

Science & Technology
(206)
Technology
(127)
Materials Science
(94)
Physical Sciences
(69)
Materials Science, Multidisciplinary
(61)
Life Sciences & Biomedicine
(59)
Engineering
(48)
Chemistry
(47)
Science & Technology - Other Topics
(33)
Humans
(32)
Physics
(32)
Engineering, Electrical & Electronic
(31)
Chemistry, Physical
(30)
Energy & Fuels
(29)
Computer Science
(27)
Physics, Applied
(23)
Density Functional Theory
(21)
Female
(21)
Male
(19)
Machine Learning
(17)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 30 Tagen
(2)
... seit 90 Tagen
(9)

Menü

Weitere Dienste

Einstellungen

Efficient calculation of carrier scattering rates from first principles

A transferable machine-learning framework linking interstice distribution and plastic heterogeneity in metallic glasses

Benchmarking materials property prediction methods: the Matbench test set and Automatminer reference algorithm

When band convergence is not beneficial for thermoelectrics

New opportunities for materials informatics: Resources and data mining techniques for uncovering hidden relationships

Recent advances and applications of deep learning methods in materials science

A critical examination of compound stability predictions from machine-learned formation energies

A framework for quantifying uncertainty in DFT energy corrections

Evaluation of Tavorite-Structured Cathode Materials for Lithium-Ion Batteries Using High-Throughput Computing

A simple model for the entropy of melting of monatomic liquids

Local structure order parameters and site fingerprints for quantification of coordination environment and crystal structure similarity

Spinel compounds as multivalent battery cathodes: a systematic evaluation based on ab initio calculations

Data Mined Ionic Substitutions for the Discovery of New Compounds

Matminer: An open source toolkit for materials data mining

Finding Nature’s Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory

Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials

A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds

Research Update: The materials genome initiative: Data sharing and the impact of collaborative ab initio databases

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput ab Initio Calculations

Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows

Assessing High-Throughput Descriptors for Prediction of Transparent Conductors

Robocrystallographer: automated crystal structure text descriptions and analysis

Evaluation of sulfur spinel compounds for multivalent battery cathode applications

Screening of bimetallic electrocatalysts for water purification with machine learning

Suchergebnisse filtern