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Caltech
John Gregoire

We love to partner with groups. Here are the some collaborators with representative co-authored papers:

Michael Statt and Brian Rohr
  • Statt, M. J.; Rohr, B. A.; Guevarra, D.; Breeden, J.; Suram, S. K.; Gregoire, J. M. The Materials Experiment Knowledge Graph. Digital Discovery 2023. https://doi.org/10.1039/D3DD00067B.
Carla Gomes
Jeffrey Neaton
  • Yan, Q.; Yu, J.; Suram, S. K.; Zhou, L.; Shinde, A.; Newhouse, P. F.; Chen, W.; Li, G.; Persson, K. A.; Gregoire, J. M.; Neaton, J. B., Solar fuels photoanode materials discovery by integrating high-throughput theory and experiment. Proc. Natl. Acad. Sci. 2017, 114 (12), 3040-3043. https://doi.org/10.1073/pnas.1619940114
Kristin Persson
  • Singh, A. K.; Montoya, J. H.; Gregoire, J. M.; Persson, K. A., Robust and synthesizable photocatalysts for CO2 reduction: a data-driven materials discovery. Nature Communications 2019, 10 (1), 443. https://doi.org/10.1038/s41467-019-08356-1
Santosh Suram
  • Rohr, B.; Stein, H. S.; Guevarra, D.; Wang, Y.; Haber, J. A.; Aykol, M.; Suram, S. K.; Gregoire, J. M., Benchmarking the acceleration of materials discovery by sequential learning. Chemical Science 2020, 11 (10), 2696-2706. https://doi.org/10.1039/C9SC05999G
Francesca Toma
  • Guevarra, D.; Shinde, A.; Suram, S. K.; Sharp, I. D.; Toma, F. M.; Haber, J. A.; Gregoire, J. M., Development of solar fuels photoanodes through combinatorial integration of Ni-La-Co-Ce oxide catalysts on BiVO4. Energy Environ. Sci. 2016, 9, 565-580. https://doi.org/10.1039/C5EE03488D
Jason Cooper
  • Newhouse, P. F.; Guevarra, D.; Umehara, M.; Reyes-Lillo, S. E.; Zhou, L.; Boyd, D. A.; Suram, S. K.; Cooper, J. K.; Haber, J. A.; Neaton, J. B.; Gregoire, J. M., Combinatorial alloying improves bismuth vanadate photoanodes via reduced monoclinic distortion. Energ Environ Sci 2018, 11 (9), 2444-2457. https://doi.org/10.1039/C8EE00179K
Junko Yano
  • Zhou, L.; Shinde, A.; Montoya, J. H.; Singh, A.; Gul, S.; Yano, J.; Ye, Y.; Crumlin, E. J.; Richter, M. H.; Cooper, J. K.; Stein, H. S.; Haber, J. A.; Persson, K. A.; Gregoire, J. M., Rutile Alloys in the Mn–Sb–O System Stabilize Mn3+ To Enable Oxygen Evolution in Strong Acid. ACS Catalysis 2018, 10938-10948. https://doi.org/10.1021/acscatal.8b02689
Walter Drisdell
  • Favaro, M.; Drisdell, W. S.; Marcus, M. A.; Gregoire, J. M.; Crumlin, E. J.; Haber, J. A.; Yano, J., An Operando Investigation of (Ni–Fe–Co–Ce)Ox System as Highly Efficient Electrocatalyst for Oxygen Evolution Reaction. ACS Catalysis 2017, 7 (2), 1248-1258. https://doi.org/10.1021/acscatal.6b03126
Yousung Jung
  • Noh, J.; Kim, J.; Stein, H. S.; Sanchez-Lengeling, B.; Gregoire, J. M.; Aspuru-Guzik, A.; Jung, Y., Inverse Design of Solid-State Materials via a Continuous Representation. Matter 2019, 1 (5), 1370-1384. https://doi.org/10.1016/j.matt.2019.08.017
Bruce van Dover
  • Gomes, C. P.; Bai, J.; Xue, Y.; Björck, J.; Rappazzo, B.; Ament, S.; Bernstein, R.; Kong, S.; Suram, S. K.; van Dover, R. B.; Gregoire, J. M., CRYSTAL: a multi-agent AI system for automated mapping of materials' crystal structures. MRS Communications 2019, 1-9. https://doi.org/10.1557/mrc.2019.50