ERD

Fifty Shades of Water: Benchmarking DFT Functionals against Experimental Data for Ionic Crystalline Hydrates

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

Identification of High‐Performance Single‐Atom MXenes Catalysts for Low‐Temperature CO Oxidation

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

Hydrogen-Bond Relations for Surface OH Species

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

From Ceria Clusters to Nanoparticles: Superoxides and Supercharging

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

Multiscale Modeling of Agglomerated Ceria Nanoparticles: Interface Stability and Oxygen Vacancy Formation

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

STM Images of Anionic Defects at CeO2(111)—A Theoretical Perspective

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

Screened hybrid functionals applied to ceria: Effect of Fock exchange

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

Red-shifting and blue-shifting OH groups on metal oxide surfaces – towards a unified picture

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

European Materials Modelling Council

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

Scenario for Data Exchange at the Microstructure Scale

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

Proceedings of the 4th World Congress on Integrated Computational Materials Engineering (ICME 2017)

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

Materials modelling, Terminology, classification and metadata

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

EMMC Marketplace online web platform prototype (v2) -T3.6

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

Software Platforms for Electronic/Atomistic/Mesoscopic Modeling: Status and Perspectives

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

Entropy and Geometric Objects

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

Towards Bridging the Data Exchange Gap Between Atomistic Simulation and Larger Scale Models

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

A Flowchart Scheme for Information Retrieval in ICME Settings

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

Training material for standards in software development -T5.2

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

Digested report from expert group meeting on Verification & Validation-T1.4, T1.5

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

Design and Implementation of metadata schema for syntactic and semantic interoperability - T2.3

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

Roadmap for the development of novel & improved materials models beyond existing gaps -T1.2

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

Updated EMMC Materials Modelling Roadmap (v1) -T7.4

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

Report on first focused workshop discussion and stakeholder recommendations of Metadata Schema and Materials Modelling O...

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

Material for training and workshops on software licensing and business models -T5.3

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

Reports on sessions in horizontal EMMC-CSA workshops, (including contribution to EMMC Roadmap (v2) -T6.2

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

"Digested report from focussed workshop on ""physics- & data-driven models""- T1.2"

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

White paper: Strategies for companies to engage in materials modelling -T6.3

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

Translators user guide and Code of Conduct -T4.2

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

Report on WP5 sessions within Horizontal Workshop 2

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

Document Materials Modelling Ontology in UML - T2.2

Project: EMMC-CSA

Updated at: 29-04-2024

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Project acronym EMMC-CSA

Resources

Selected filters:

Fifty Shades of Water: Benchmarking DFT Functionals against Experimental Data for Ionic Crystalline Hydrates

Identification of High‐Performance Single‐Atom MXenes Catalysts for Low‐Temperature CO Oxidation

Hydrogen-Bond Relations for Surface OH Species

From Ceria Clusters to Nanoparticles: Superoxides and Supercharging

Multiscale Modeling of Agglomerated Ceria Nanoparticles: Interface Stability and Oxygen Vacancy Formation

STM Images of Anionic Defects at CeO2(111)—A Theoretical Perspective

Screened hybrid functionals applied to ceria: Effect of Fock exchange

Red-shifting and blue-shifting OH groups on metal oxide surfaces – towards a unified picture

European Materials Modelling Council

Scenario for Data Exchange at the Microstructure Scale

Proceedings of the 4th World Congress on Integrated Computational Materials Engineering (ICME 2017)

Materials modelling, Terminology, classification and metadata

EMMC Marketplace online web platform prototype (v2) -T3.6

Software Platforms for Electronic/Atomistic/Mesoscopic Modeling: Status and Perspectives

Entropy and Geometric Objects

Towards Bridging the Data Exchange Gap Between Atomistic Simulation and Larger Scale Models

A Flowchart Scheme for Information Retrieval in ICME Settings

Training material for standards in software development -T5.2

Digested report from expert group meeting on Verification & Validation-T1.4, T1.5

Design and Implementation of metadata schema for syntactic and semantic interoperability - T2.3

Roadmap for the development of novel & improved materials models beyond existing gaps -T1.2

Updated EMMC Materials Modelling Roadmap (v1) -T7.4

Report on first focused workshop discussion and stakeholder recommendations of Metadata Schema and Materials Modelling O...

Material for training and workshops on software licensing and business models -T5.3

Reports on sessions in horizontal EMMC-CSA workshops, (including contribution to EMMC Roadmap (v2) -T6.2

"Digested report from focussed workshop on ""physics- & data-driven models""- T1.2"

White paper: Strategies for companies to engage in materials modelling -T6.3

Translators user guide and Code of Conduct -T4.2

Report on WP5 sessions within Horizontal Workshop 2

Document Materials Modelling Ontology in UML - T2.2