Gregoire, John M.

Analysis of the limitations in the oxygen reduction activity of transition metal oxide surfaces

Li, H., Kelly, S., Guevarra, D., Wang, Z., Wang, Y., Haber, J. A., Anand, M., Gunasooriya, G. T. K. K., Abraham, C. S., Vijay, S., et al. (2021) · Nature Catalysis

Electrocatalysts for Energy ConversionCatalytic Processes in Materials Science

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Computational sustainability: computing for a better world and a sustainable future

Gomes, C., Dietterich, T., Barrett, C., Conrad, J., Dilkina, B., Ermon, S., Fang, F., Farnsworth, A., Fern, A., Fern, X., et al. (2019) · Communications of the ACM

Innovation, Sustainability, Human-Machine SystemsGreen IT and Sustainability

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Analyzing machine learning models to accelerate generation of fundamental materials insights

Umehara, M., Stein, H. S., Guevarra, D., Newhouse, P. F., Boyd, D. A., & Gregoire, J. M. (2019) · npj Computational Materials

Machine Learning in Materials ScienceAdvanced Chemical Physics Studies

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Automated Phase Mapping with AgileFD and its Application to Light Absorber Discovery in the V–Mn–Nb Oxide System

Suram, S. K., Xue, Y., Bai, J., Le Bras, R., Rappazzo, B., Bernstein, R., Bjorck, J., Zhou, L., van Dover, R. B., Gomes, C. P., et al. (2017) · ACS Combinatorial Science

Machine Learning in Materials ScienceX-ray Diffraction in Crystallography

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Phase‐Mapper: Accelerating Materials Discovery with AI

Bai, J., Xue, Y., Bjorck, J., Bras, R. L., Rappazzo, B., Bernstein, R., Suram, S. K., van Dover, R. B., Gregoire, J. M., & Gomes, C. P. (2018) · AI Magazine

Machine Learning in Materials ScienceX-ray Diffraction in Crystallography

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