FAIRmat Users Meeting | The Alexandria Database of Materials - Miguel Marques
Автор: FAIRmat and NOMAD
Загружено: 2025-07-31
Просмотров: 141
Описание: The Alexandria database represents an important resource for materials science research, containing more than 5 million density-functional theory calculations for periodic three-, two-, and one-dimensional compounds. This open-access database addresses the critical challenge of data scarcity in materials science, where large, high-quality, and consistent datasets are rare. The Alexandria database serves as a foundation for training machine learning models in materials science, enabling the training of multiple material properties using both composition-based models, crystal-graph neural networks, or machine-learning interatomic potentials. This is also an important resource in accelerating materials discovery and in transforming high-throughput materials design. The Alexandria database exemplifies the power of open science in materials research, providing the community with a robust platform for developing predictive models and discovering new materials with tailored properties.
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