ERD

Robustness of Local Predictions in Atomistic Machine Learning Models

Project: FIAMMA

Updated at: 01-11-2024

Show more information

Project acronym FIAMMA

Mechanism of Charge Transport in Lithium Thiophosphate

Project: FIAMMA

Updated at: 01-11-2024

Show more information

Project acronym FIAMMA

scikit-matter : A Suite of Generalisable Machine Learning Methods Born out of Chemistry and Materials Science

Project: FIAMMA

Updated at: 01-11-2024

Show more information

Project acronym FIAMMA

i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations

Project: FIAMMA

Updated at: 01-11-2024

Show more information

Project acronym FIAMMA

Electronic Excited States from Physically Constrained Machine Learning

Project: FIAMMA

Updated at: 01-11-2024

Show more information

Project acronym FIAMMA

Completeness of atomic structure representations

Project: FIAMMA

Updated at: 01-11-2024

Show more information

Project acronym FIAMMA

"Thermal conductivity of <mml:math xmlns:mml=""http://www.w3.org/1998/Math/MathML""><mml:mrow><mml:msub><mml:mi>Li</mml:...

Project: FIAMMA

Updated at: 01-11-2024

Show more information

Project acronym FIAMMA

Physics-Inspired Equivariant Descriptors of Nonbonded Interactions

Project: FIAMMA

Updated at: 01-11-2024

Show more information

Project acronym FIAMMA

Ranking the synthesizability of hypothetical zeolites with the sorting hat

Project: FIAMMA

Updated at: 27-04-2024

Show more information

Project acronym FIAMMA

Electronic-Structure Properties from Atom-Centered Predictions of the Electron Density

Project: FIAMMA

Updated at: 27-04-2024

Show more information

Project acronym FIAMMA

Equivariant representations for molecular Hamiltonians and N-center atomic-scale properties

Project: FIAMMA

Updated at: 27-04-2024

Show more information

Project acronym FIAMMA

Fast evaluation of spherical harmonics with sphericart

Project: FIAMMA

Updated at: 27-04-2024

Show more information

Project acronym FIAMMA

Local invertibility and sensitivity of atomic structure-feature mappings

Project: FIAMMA

Updated at: 27-04-2024

Show more information

Project acronym FIAMMA

Unified theory of atom-centered representations and message-passing machine-learning schemes.

Project: FIAMMA

Updated at: 27-04-2024

Show more information

Project acronym FIAMMA

A smooth basis for atomistic machine learning

Project: FIAMMA

Updated at: 27-04-2024

Show more information

Project acronym FIAMMA

Predicting hot-electron free energies from ground-state data

Project: FIAMMA

Updated at: 27-04-2024

Show more information

Project acronym FIAMMA

A data-driven interpretation of the stability of organic molecular crystals

Project: FIAMMA

Updated at: 27-04-2024

Show more information

Project acronym FIAMMA

Resources

Selected filters:

Robustness of Local Predictions in Atomistic Machine Learning Models

Mechanism of Charge Transport in Lithium Thiophosphate

scikit-matter : A Suite of Generalisable Machine Learning Methods Born out of Chemistry and Materials Science

i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations

Electronic Excited States from Physically Constrained Machine Learning

Completeness of atomic structure representations

"Thermal conductivity of <mml:math xmlns:mml=""http://www.w3.org/1998/Math/MathML""><mml:mrow><mml:msub><mml:mi>Li</mml:...

Physics-Inspired Equivariant Descriptors of Nonbonded Interactions

Ranking the synthesizability of hypothetical zeolites with the sorting hat

Electronic-Structure Properties from Atom-Centered Predictions of the Electron Density

Equivariant representations for molecular Hamiltonians and N-center atomic-scale properties

Fast evaluation of spherical harmonics with sphericart

Local invertibility and sensitivity of atomic structure-feature mappings

Unified theory of atom-centered representations and message-passing machine-learning schemes.

A smooth basis for atomistic machine learning

Predicting hot-electron free energies from ground-state data

A data-driven interpretation of the stability of organic molecular crystals