Publications
Publications by Category
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
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
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
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
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
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
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
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
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