Concepedia

A data ecosystem to support machine learning in materials science

Ben Blaiszik, Logan Ward, Marcus Schwarting, Jonathon Gaff, Ryan Chard, Daniel W. Pike, Kyle Chard, Ian Foster

MRS Communications · 2019 · 186 citations · 27 references

DOIFull text

Open access

Concepts

References

27

Visualizing Data using t-SNE

Laurens van der Maaten, Geoffrey E. Hinton · Journal of Machine Learning Research · 2008 · 35.7K citations

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Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier et al. · APL Materials · 2013 · 12.7K citations · Full text

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The atomic simulation environment—a Python library for working with atoms

Ask Hjorth Larsen, Jens Jørgen Mortensen, Jakob Blomqvist et al. · Journal of Physics Condensed Matter · 2017 · 4.6K citations · Full text

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The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies

Scott Kirklin, James E. Saal, Bryce Meredig et al. · npj Computational Materials · 2015 · 2.4K citations · Full text

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SchNet – A deep learning architecture for molecules and materials

Kristof T. Schütt, Huziel E. Sauceda, Pieter-Jan Kindermans et al. · The Journal of Chemical Physics · 2018 · 2.2K citations · Full text

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