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J. Saal · SciRah

Researcher profile · Semantic Scholar

J. Saal

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J. Saal — researcher profile on SciRah

h-index: 36
Works: 95
Citations: 9,129

Most-cited papers

Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)
J. Saal, S. Kirklin, M. Aykol, B. Meredig +1 more
20132,364 citations
Semantic Scholar
The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies
S. Kirklin, J. Saal, B. Meredig, A. Thompson +4 more
20152,353 citations Open access
Semantic Scholar
Combinatorial screening for new materials in unconstrained composition space with machine learning
B. Meredig, Amit Agrawal, S. Kirklin, J. Saal +5 more
2014593 citations
Semantic Scholar
High-Throughput Computational Screening of Perovskites for Thermochemical Water Splitting Applications
A. Emery, J. Saal, S. Kirklin, Vinay I. Hegde +1 more
2016225 citations Open access
Semantic Scholar
Passivation of a corrosion resistant high entropy alloy in non-oxidizing sulfate solutions
Kathleen F. Quiambao, S. McDonnell, D. Schreiber, A. Y. Gerard +5 more
2019Acta Materialia190 citations Open access
Semantic Scholar
Enthalpies of formation of magnesium compounds from first-principles calculations
H. Zhang, Shun-Li Shang, J. Saal, Arkapol Saengdeejing +3 more
2007190 citations
Semantic Scholar
Machine Learning in Materials Discovery: Confirmed Predictions and Their Underlying Approaches
J. Saal, A. Oliynyk, B. Meredig
2020145 citations
Semantic Scholar
Expanded dataset of mechanical properties and observed phases of multi-principal element alloys
Christopher K. H. Borg, C. Frey, Jasper Moh, T. Pollock +5 more
2020Scientific Data141 citations Open access
Semantic Scholar
Integrated computational materials engineering of corrosion resistant alloys
Christopher D. Taylor, P. Lu, J. Saal, G. Frankel +1 more
2018npj Materials Degradation137 citations Open access
Semantic Scholar
Thermodynamic stability of Mg-based ternary long-period stacking ordered structures
J. Saal, C. Wolverton
2013137 citations Open access
Semantic Scholar
Predicting β′ precipitate morphology and evolution in Mg–RE alloys using a combination of first-principles calculations and phase-field modeling
Yanzhou Ji, A. Issa, T. Heo, J. Saal +2 more
2014127 citations
Semantic Scholar
Computational materials design of a corrosion resistant high entropy alloy for harsh environments
P. Lu, J. Saal, G. Olson, Tian-Shu Li +5 more
2018Scripta Materialia116 citations Open access
Semantic Scholar
Electrochemical metrics for corrosion resistant alloys
C. Nyby, Xiaolei Guo, J. Saal, Szu-Chia Chien +11 more
2021Scientific Data114 citations Open access
Semantic Scholar
Equilibrium high entropy alloy phase stability from experiments and thermodynamic modeling
J. Saal, Ida S. Berglund, J. Sebastian, P. Liaw +1 more
2018112 citations Open access
Semantic Scholar
Localized corrosion behavior of a single-phase non-equimolar high entropy alloy
Tian-Shu Li, Orion J. Swanson, G. Frankel, A. Y. Gerard +3 more
2019Electrochimica Acta110 citations Open access
Semantic Scholar
Formation of high-strength β′ precipitates in Mg–RE alloys: The role of the Mg/β″ interfacial instability
A. Issa, J. Saal, C. Wolverton
2015105 citations Open access
Semantic Scholar
Controlling the corrosion resistance of multi-principal element alloys
J. Scully, S. Inman, A. Y. Gerard, Christopher D. Taylor +5 more
2020100 citations Open access
Semantic Scholar
Prediction of seebeck coefficient for compounds without restriction to fixed stoichiometry: A machine learning approach
A. Furmanchuk, J. Saal, J. Doak, G. Olson +2 more
2018Journal of Computational Chemistry95 citations Open access
Semantic Scholar
High-throughput computational search for strengthening precipitates in alloys
S. Kirklin, J. Saal, Vinay I. Hegde, C. Wolverton
201694 citations Open access
Semantic Scholar
Interpretable models for extrapolation in scientific machine learning
Eric S. Muckley, J. Saal, B. Meredig, C. Roper +1 more
2022Digital Discovery93 citations Open access
Semantic Scholar
Aqueous passivation of multi-principal element alloy Ni38Fe20Cr22Mn10Co10: Unexpected high Cr enrichment within the passive film
A. Y. Gerard, Junsoo Han, S. McDonnell, K. Ogle +6 more
202088 citations Open access
Semantic Scholar
Thermodynamic stability of Co–Al–W L12 γ′
J. Saal, C. Wolverton
201287 citations Open access
Semantic Scholar
Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)
J. Saal, S. Kirklin, M. Aykol, B. Meredig +1 more
2013JOM85 citations
Semantic Scholar
Physical factors controlling the observed high-strength precipitate morphology in Mg–rare earth alloys
A. Issa, J. Saal, C. Wolverton
201484 citations
Semantic Scholar
The structural evolution of boron carbide via ab initio calculations
J. Saal, Shun-Li Shang, Zi-Kui Liu
200771 citations
Semantic Scholar
Approaching chemical accuracy with density functional calculations: Diatomic energy corrections
Scott C Grindy, B. Meredig, S. Kirklin, J. Saal +1 more
201365 citations
Semantic Scholar
Crystal structure, energetics, and phase stability of strengthening precipitates in Mg alloys: A first-principles study
Dongshu Wang, Maximilian Amsler, Vinay I. Hegde, J. Saal +4 more
2018Acta Materialia58 citations Open access
Semantic Scholar
Thermodynamic stability of Mg–Y–Zn long-period stacking ordered structures
J. Saal, C. Wolverton
201258 citations
Semantic Scholar
Solute–vacancy binding of the rare earths in magnesium from first principles
J. Saal, C. Wolverton
201258 citations
Semantic Scholar
Computational design and initial corrosion assessment of a series of non-equimolar high entropy alloys
P. Lu, J. Saal, G. Olson, Tian-Shu Li +5 more
2019Scripta Materialia54 citations Open access
Semantic Scholar
First-principles lattice dynamics and heat capacity of BiFeO3
Yi Wang, J. Saal, Ping-Ping Wu, Jian-Jun Wang +3 more
201153 citations
Semantic Scholar
Energetics of antiphase boundaries in γ′ Co3(Al,W)-based superalloys
J. Saal, C. Wolverton
201651 citations Open access
Semantic Scholar
The Role of Chromium Content on Aqueous Passivation of Non-Equiatomic Ni38Fe20CrxMn21-0.5xCo21-0.5x Multi-Principal Element Alloy (x = 22, 14, 10, 6 at. %) in Acidic Chloride Solution
A. Y. Gerard, E. Kautz, D. Schreiber, Junsoo Han +6 more
2022Acta Materialia47 citations Open access
Semantic Scholar
Reflections on one million compounds in the open quantum materials database (OQMD)
Jia-Hong Shen, Sean D. Griesemer, Abhijith M. Gopakumar, B. Baldassarri +4 more
2022Journal of Physics Materials46 citations Open access
Semantic Scholar
Thermodynamic modeling of the Cu–Si system
Dongwon Shin, J. Saal, Zi-Kui Liu
200844 citations
Semantic Scholar
Magnetic thermodynamics of fcc Ni from first-principles partition function approach
Shun-Li Shang, J. Saal, Z. Mei, Yi Wang +1 more
201042 citations
Semantic Scholar
Quantifying the performance of machine learning models in materials discovery
Christopher K. H. Borg, Eric S. Muckley, C. Nyby, J. Saal +3 more
2022Digital Discovery35 citations Open access
Semantic Scholar
Machine-Learning Guided Quantum Chemical and Molecular Dynamics Calculations to Design Novel Hole Conducting Organic Materials.
Erin Antono, Nobuyuki N. Matsuzawa, Julia Ling, J. Saal +3 more
2020Journal of Physical Chemistry A35 citations
Semantic Scholar
Quantifying uncertainty in high-throughput density functional theory: a comparison of AFLOW, Materials Project, and OQMD
Vinay I. Hegde, Christopher K. H. Borg, Zachary del Rosario, Yoolhee Kim +8 more
202033 citations
Semantic Scholar
Strategies for accelerating the adoption of materials informatics
Logan T. Ward, M. Aykol, B. Blaiszik, Ian T. Foster +3 more
2018MRS bulletin33 citations
Semantic Scholar
Broken symmetry, strong correlation, and splitting between longitudinal and transverse optical phonons of MnO and NiO from first principles
Yi Wang, J. Saal, Jian-Jun Wang, Arkapol Saengdeejing +3 more
201031 citations
Semantic Scholar
Thermodynamic modeling of fcc order/disorder transformations in the CoPt system
DongEung Kim, J. Saal, Liangcai Zhou, Shun-Li Shang +2 more
201130 citations
Semantic Scholar
Machine learned synthesizability predictions aided by density functional theory
Andrew Lee, Suchismita Sarker, J. Saal, Logan T. Ward +3 more
2022Communications Materials27 citations Open access
Semantic Scholar
Communication—Dissolution and Passivation of a Ni-Cr-Fe-Ru-Mo-W High Entropy Alloy by Elementally Resolved Electrochemistry
Xuejie Li, Junsoo Han, P. Lu, J. Saal +4 more
202026 citations Open access
Semantic Scholar
Magnetic perturbation and associated energies of the antiphase boundaries in ordered Ni3Al
V. Manga, J. Saal, Yi Wang, V. Crespi +1 more
201025 citations
Semantic Scholar
Potential Dependent Mn Oxidation and Its Role in Passivation of Ni38Fe20Cr22Mn10Co10 Multi-Principal Element Alloy Using Multi-Element Resolved Atomic Emission Spectroelectrochemistry
Junsoo Han, Xuejie Li, A. Y. Gerard, P. Lu +4 more
202124 citations Open access
Semantic Scholar
Defects in boron carbide: First-principles calculations and CALPHAD modeling
Arkapol Saengdeejing, J. Saal, V. Manga, Zi-Kui Liu
201224 citations
Semantic Scholar
Thermodynamic properties of Co3O4 and Sr6Co5O15 from first-principles.
J. Saal, Yi Wang, Shun-Li Shang, Zi-Kui Liu
2010Inorganic Chemistry23 citations
Semantic Scholar
Effects of carbon in MgB2 thin films: Intrinsic or extrinsic
Arkapol Saengdeejing, J. Saal, Yi Wang, Zi-Kui Liu
200720 citations
Semantic Scholar
Element redistributions during early stages of oxidation in a Ni38Cr22Fe20Mn10Co10 multi-principal element alloy
E. Kautz, S. Lambeets, D. Perea, A. Y. Gerard +4 more
202118 citations Open access
Semantic Scholar

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