ERD

Imeall: A computational framework for the calculation of the atomistic properties of grain boundaries

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

Kinetic-Energy Density-Functional Theory on a Lattice

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

Magnetic Coupling Constants in Three Electrons Three Centers Problems from Effective Hamiltonian Theory and Validation o...

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

Guest Editorial: Special Topic on Data-Enabled Theoretical Chemistry

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

Ultrafast Modification of Hubbard U in a Strongly Correlated Material: Ab initio High-Harmonic Generation in NiO

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

Role of intraband transitions in photocarrier generation

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

Insightful classification of crystal structures using deep learning

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

The Computational 2D Materials Database: High-Throughput Modeling and Discovery of Atomically Thin Crystals

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

Analytics toolkit – interim deployment

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

Dissemination materials

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

Highly Active Au/δ-MoC and Cu/δ-MoC Catalysts for the Conversion of CO 2 : The Metal/C Ratio as a Key Factor Defining ...

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

The contact of graphene with Ni(111) surface: description by modern dispersive forces approaches

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

Effect of Size and Structure on the Ground-State and Excited-State Electronic Structure of TiO 2 Nanoparticles

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

When Anatase Nanoparticles Become Bulklike: Properties of Realistic TiO 2 Nanoparticles in the 1–6 nm Size Range from ...

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

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

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

Lattice dynamics calculations based on density-functional perturbation theory in real space

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

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

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

Size dependent structural and polymorphic transitions in ZnO: from nanocluster to bulk

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

ZnO powders as multi-facet single crystals

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

Controlling heat and particle currents in nanodevices by quantum observation

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

Terms of Reference – SAC and IAC

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

Data management plan

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

Analytics toolkit – final deployment

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

Graphical user interface

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

Periodic Reporting for period 2 - NoMaD (The Novel Materials Discovery Laboratory)

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

First 40 conversion layers

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

Remote visualization guide

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

Final report on HPC platform

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

Project documentary video

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

Query algorithms

Project: NoMaD

Updated at: 28-04-2024

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Project acronym NoMaD

Resources

Selected filters:

Imeall: A computational framework for the calculation of the atomistic properties of grain boundaries

Kinetic-Energy Density-Functional Theory on a Lattice

Magnetic Coupling Constants in Three Electrons Three Centers Problems from Effective Hamiltonian Theory and Validation o...

Guest Editorial: Special Topic on Data-Enabled Theoretical Chemistry

Ultrafast Modification of Hubbard U in a Strongly Correlated Material: Ab initio High-Harmonic Generation in NiO

Role of intraband transitions in photocarrier generation

Insightful classification of crystal structures using deep learning

The Computational 2D Materials Database: High-Throughput Modeling and Discovery of Atomically Thin Crystals

Analytics toolkit – interim deployment

Dissemination materials

Highly Active Au/δ-MoC and Cu/δ-MoC Catalysts for the Conversion of CO 2 : The Metal/C Ratio as a Key Factor Defining ...

The contact of graphene with Ni(111) surface: description by modern dispersive forces approaches

Effect of Size and Structure on the Ground-State and Excited-State Electronic Structure of TiO 2 Nanoparticles

When Anatase Nanoparticles Become Bulklike: Properties of Realistic TiO 2 Nanoparticles in the 1–6 nm Size Range from ...

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

Lattice dynamics calculations based on density-functional perturbation theory in real space

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

Size dependent structural and polymorphic transitions in ZnO: from nanocluster to bulk

ZnO powders as multi-facet single crystals

Controlling heat and particle currents in nanodevices by quantum observation

Terms of Reference – SAC and IAC

Data management plan

Analytics toolkit – final deployment

Graphical user interface

Periodic Reporting for period 2 - NoMaD (The Novel Materials Discovery Laboratory)

First 40 conversion layers

Remote visualization guide

Final report on HPC platform

Project documentary video

Query algorithms