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Periodic Reporting for period 4 - TEC1p (Big-Data Analytics for the Thermal and Electrical Conductivity of Materials fro...

Project: TEC1p

Updated at: 31-08-2024

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Project acronym TEC1p

Optimizations of the eigensolvers in the ELPA library

Project: TEC1p

Updated at: 27-04-2024

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Project acronym TEC1p

Insightful classification of crystal structures using deep learning

Project: TEC1p

Updated at: 27-04-2024

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Project acronym TEC1p

AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis

Project: TEC1p

Updated at: 27-04-2024

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Project acronym TEC1p

Beyond Scaling Relations for the Description of Catalytic Materials

Project: TEC1p

Updated at: 27-04-2024

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Project acronym TEC1p

Main-group test set for materials science and engineering with user-friendly graphical tools for error analysis: systema...

Project: TEC1p

Updated at: 27-04-2024

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Project acronym TEC1p

New tolerance factor to predict the stability of perovskite oxides and halides

Project: TEC1p

Updated at: 27-04-2024

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Project acronym TEC1p

(Meta-)stability and Core–Shell Dynamics of Gold Nanoclusters at Finite Temperature

Project: TEC1p

Updated at: 27-04-2024

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Project acronym TEC1p

Two-to-three dimensional transition in neutral gold clusters: The crucial role of van der Waals interactions and tempera...

Project: TEC1p

Updated at: 27-04-2024

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Project acronym TEC1p

Crowd-sourcing materials-science challenges with the NOMAD 2018 Kaggle competition

Project: TEC1p

Updated at: 27-04-2024

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Project acronym TEC1p

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

Project: TEC1p

Updated at: 27-04-2024

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Project acronym TEC1p

SISSO: A compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candid...

Project: TEC1p

Updated at: 27-04-2024

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Project acronym TEC1p

Artificial intelligence for high-throughput discovery of topological insulators: The example of alloyed tetradymites

Project: TEC1p

Updated at: 27-04-2024

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Project acronym TEC1p

NOMAD: The FAIR concept for big data-driven materials science

Project: TEC1p

Updated at: 27-04-2024

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Project acronym TEC1p

Step-flow growth in homoepitaxy of β -Ga 2 O 3 (100)—The influence of the miscut direction and faceting

Project: TEC1p

Updated at: 27-04-2024

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Project acronym TEC1p

Benefits from using mixed precision computations in the ELPA-AEO and ESSEX-II eigensolver projects

Project: TEC1p

Updated at: 27-04-2024

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Project acronym TEC1p

Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications

Project: TEC1p

Updated at: 27-04-2024

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Project acronym TEC1p

Electron-phonon coupling in d -electron solids: A temperature-dependent study of rutile Ti O 2 by first-principles theor...

Project: TEC1p

Updated at: 27-04-2024

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Project acronym TEC1p

Parametrically constrained geometry relaxations for high-throughput materials science

Project: TEC1p

Updated at: 27-04-2024

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Project acronym TEC1p

The NOMAD laboratory: from data sharing to artificial intelligence

Project: TEC1p

Updated at: 27-04-2024

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Project acronym TEC1p

Big Data-Driven Materials Science and Its FAIR Data Infrastructure

Project: TEC1p

Updated at: 27-04-2024

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Project acronym TEC1p

Determining surface phase diagrams including anharmonic effects

Project: TEC1p

Updated at: 27-04-2024

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Project acronym TEC1p

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Periodic Reporting for period 4 - TEC1p (Big-Data Analytics for the Thermal and Electrical Conductivity of Materials fro...

Optimizations of the eigensolvers in the ELPA library

Insightful classification of crystal structures using deep learning

AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis

Beyond Scaling Relations for the Description of Catalytic Materials

Main-group test set for materials science and engineering with user-friendly graphical tools for error analysis: systema...

New tolerance factor to predict the stability of perovskite oxides and halides

(Meta-)stability and Core–Shell Dynamics of Gold Nanoclusters at Finite Temperature

Two-to-three dimensional transition in neutral gold clusters: The crucial role of van der Waals interactions and tempera...

Crowd-sourcing materials-science challenges with the NOMAD 2018 Kaggle competition

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

SISSO: A compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candid...

Artificial intelligence for high-throughput discovery of topological insulators: The example of alloyed tetradymites

NOMAD: The FAIR concept for big data-driven materials science

Step-flow growth in homoepitaxy of β -Ga 2 O 3 (100)—The influence of the miscut direction and faceting

Benefits from using mixed precision computations in the ELPA-AEO and ESSEX-II eigensolver projects

Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications

Electron-phonon coupling in d -electron solids: A temperature-dependent study of rutile Ti O 2 by first-principles theor...

Parametrically constrained geometry relaxations for high-throughput materials science

The NOMAD laboratory: from data sharing to artificial intelligence

Big Data-Driven Materials Science and Its FAIR Data Infrastructure

Determining surface phase diagrams including anharmonic effects