Publications

X Author: Joseph H Montoya

2020

Mrdjenovich, David, Matthew K Horton, Joseph H Montoya, Christian M Legaspi, Shyam Dwaraknath, Vahe Tshitoyan, Anubhav Jain, and Kristin A Persson."propnet: A Knowledge Graph for Materials Science."Matter 2.2 (2020) 464 - 480. DOI(link is external)

2019

Patel, Anjli M, Jens K Nørskov, Kristin A Persson, and Joseph H Montoya."Efficient Pourbaix diagrams of many-element compounds."Physical Chemistry Chemical Physics 21.45 (2019) 25323 - 25327. DOI(link is external)
Tran, Richard, Xiang-Guo Li, Joseph H Montoya, Donald Winston, Kristin A Persson, and Shyue Ping Ong."Anisotropic work function of elemental crystals."Surface Science 687 (2019) 48 - 55. DOI(link is external)
Singh, Arunima K, Joseph H Montoya, John M Gregoire, and Kristin A Persson."Robust and synthesizable photocatalysts for CO2 reduction: a data-driven materials discovery."Nature Communications 10.1 (2019). DOI(link is external)

2018

Zhou, Lan, Aniketa Shinde, Joseph H Montoya, Arunima K Singh, Sheraz Gul, Junko Yano, Yifan Ye, Ethan J Crumlin, Matthias H Richter, Jason K Coope, Helge S Stein, Joel A Haber, Kristin A Persson, and John M Gregoire."Rutile Alloys in the Mn–Sb–O System Stabilize Mn 3+ To Enable Oxygen Evolution in Strong Acid."ACS Catalysis 8.12 (2018) 10938 - 10948. DOI(link is external)
Tabor, Daniel P, Loïc M Roch, Semion K Saikin, Christoph Kreisbeck, Dennis Sheberla, Joseph H Montoya, Shyam S Dwaraknath, Muratahan Aykol, Carlos Ortiz, Hermann Tribukait, Carlos Amador-Bedolla, Christoph J Brabec, Benji Maruyama, Kristin A Persson, and Alán Aspuru-Guzik."Accelerating the discovery of materials for clean energy in the era of smart automation."Nature Reviews Materials 3.5 (2018) 5 - 20. DOI(link is external)

2017

Singh, Arunima K, Lan Zhou, Aniketa Shinde, Santosh K Suram, Joseph H Montoya, Donald Winston, John M Gregoire, and Kristin A Persson."Electrochemical Stability of Metastable Materials."Chemistry of Materials 29.23 (2017) 10159 - 10167. DOI(link is external)
Mathew, Kiran, Joseph H Montoya, Alireza Faghaninia, Shyam S Dwaraknath, Muratahan Aykol, Hanmei Tang, Iek-heng Chu, Tess Smidt, Brandon Bocklund, Matthew Horton, John Dagdelen, Brandon Wood, Zi-Kui Liu, Jeffrey B Neaton, Shyue Ping Ong, Kristin A Persson, and Anubhav Jain."Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows."Computational Materials Science 139 (2017) 140 - 152. DOI(link is external)
Montoya, Joseph H, and Kristin A Persson."A high-throughput framework for determining adsorption energies on solid surfaces."npj Computational Materials 3.1 (2017). DOI(link is external)