ERD

Periodic Reporting for period 3 - SimDOME (Digital Ontology-based Modelling Environment for Simulation of materials)

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

Tuning the Ultrafast Response of Fano Resonances in Halide Perovskite Nanoparticles

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

Modelling Investigation of the Thermal Treatment of Ash-Contaminated Particulate Filters

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

The influence of alcohol, carbonate and polyethers as oxygenated fuels on the soot characteristics from a CI engine

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

Photo-Active Biological Molecular Materials: From Photoinduced Dynamics to Transient Electronic Spectroscopies

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

Simulation of continuous Ni-Mn-co hydroxide co-precipitation by compartmental population balance modelling

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

Report on final event and all external publications

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

Standards formats pecifications for EMMO-based data and user-case interoperability

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

EMMO/SimDOME User Case extension

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

Time-domain photocurrent spectroscopy based on a common-path birefringent interferometer

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

Ultrafast Spectroscopy of Photoactive Molecular Systems from First Principles: Where We Stand Today and Where We Are Goi...

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

Reliable and interoperable computational molecular engineering: 2. Semantic interoperability based on the European Mater...

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

SimDOME project website

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

Upscaled software release

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

EMMO/SimDOME Modelling extension

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

CFD-PBE modelling of continuous Ni-Mn-Co hydroxide co-precipitation for Li-ion batteries

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

QM/MM Nonadiabatic Dynamics: the SHARC/COBRAMM Approach.

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

A modelling and experimental study on the co-precipitation of Ni0.8Mn0.1Co0.1(OH)2 as precursor for battery cathodes

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

Automatized protocol and interface to simulate QM/MM time-resolved transient absorption at TD-DFT level with COBRAMM

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

Numerical and Experimental Study of Gas Phase Nanoparticle Synthesis Using NanoDOME

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

Report on SimDOME/EMMO activities

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

SimDOME OSP API final version

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

Final report on Code Collaboration

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

CUDS classes final version

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

SimDOME SDK release

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

SimDOME OSP release

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

SimDOME Application Engines

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

Spectral Tuning and Photoisomerization Efficiency in Push–Pull Azobenzenes: Designing Principles

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

First-principles characterization of the singlet excited state manifold in DNA/RNA nucleobases

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

Multidimensional Potential Energy Surfaces Resolved at the RASPT2 Level for Accurate Photoinduced Isomerization Dynamics...

Project: SimDOME

Updated at: 29-04-2024

Show more information

Project acronym SimDOME

Resources

Selected filters:

Periodic Reporting for period 3 - SimDOME (Digital Ontology-based Modelling Environment for Simulation of materials)

Tuning the Ultrafast Response of Fano Resonances in Halide Perovskite Nanoparticles

Modelling Investigation of the Thermal Treatment of Ash-Contaminated Particulate Filters

The influence of alcohol, carbonate and polyethers as oxygenated fuels on the soot characteristics from a CI engine

Photo-Active Biological Molecular Materials: From Photoinduced Dynamics to Transient Electronic Spectroscopies

Simulation of continuous Ni-Mn-co hydroxide co-precipitation by compartmental population balance modelling

Report on final event and all external publications

Standards formats pecifications for EMMO-based data and user-case interoperability

EMMO/SimDOME User Case extension

Time-domain photocurrent spectroscopy based on a common-path birefringent interferometer

Ultrafast Spectroscopy of Photoactive Molecular Systems from First Principles: Where We Stand Today and Where We Are Goi...

Reliable and interoperable computational molecular engineering: 2. Semantic interoperability based on the European Mater...

SimDOME project website

Upscaled software release

EMMO/SimDOME Modelling extension

CFD-PBE modelling of continuous Ni-Mn-Co hydroxide co-precipitation for Li-ion batteries

QM/MM Nonadiabatic Dynamics: the SHARC/COBRAMM Approach.

A modelling and experimental study on the co-precipitation of Ni0.8Mn0.1Co0.1(OH)2 as precursor for battery cathodes

Automatized protocol and interface to simulate QM/MM time-resolved transient absorption at TD-DFT level with COBRAMM

Numerical and Experimental Study of Gas Phase Nanoparticle Synthesis Using NanoDOME

Report on SimDOME/EMMO activities

SimDOME OSP API final version

Final report on Code Collaboration

CUDS classes final version

SimDOME SDK release

SimDOME OSP release

SimDOME Application Engines

Spectral Tuning and Photoisomerization Efficiency in Push–Pull Azobenzenes: Designing Principles

First-principles characterization of the singlet excited state manifold in DNA/RNA nucleobases

Multidimensional Potential Energy Surfaces Resolved at the RASPT2 Level for Accurate Photoinduced Isomerization Dynamics...