James Edward Saal

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Chris WolvertonProfessor of Materials Science and Eng., Northwestern UniversityVerified email at northwestern.edu
Bryce MeredigTravertine Labs & Northwestern UniversityVerified email at northwestern.edu
John R. Scully, John Scully, J Scully, J...Charles Henderson Chaired Professor of MSE, Co-director Center forVerified email at virginia.edu
Zi-Kui Liu, Dorothy Pate Enright Profes...The Pennsylvania State UniversityVerified email at psu.edu
Pin LuSolvus GlobalVerified email at solvusglobal.com
Gerald S. FrankelDistinguished Prof. of Engineering, Director Fontana Corrosion Center, The Ohio State UniversityVerified email at osu.edu
Scott KirklinNorthwestern UniversityVerified email at u.northwestern.edu
Angela Y. GerardPh.D. Candidate, University of Virginia Material Science and EngineeringVerified email at virginia.edu
Muratahan AykolGoogle DeepMindVerified email at google.com
Jeff W. DoakQuesTek InnovationsVerified email at questek.com
Shun-Li Shang (商顺利)Research Professor, The Pennsylvania State UniversityVerified email at psu.edu
Vinay Ishwar HegdeResearch Scientist, Google DeepmindVerified email at google.com
Yi WangPenn StateVerified email at psu.edu
Tianshu LiXi'an Jiaotong UniversityVerified email at xjtu.edu.cn
Long-Qing ChenThe Pennslvania State UniversityVerified email at psu.edu
Alexander ThompsonPostdoctoral Researcher at NASA Ames Research CenterVerified email at nasa.gov
Daniel K SchreiberPacific Northwest National LaboratoryVerified email at pnnl.gov
Ahmed IssaGraduate student in Materials Science and Engineering, Northwestern UniversityVerified email at u.northwestern.edu
Christopher K. H. BorgSolutions Engineer @ Noble.AIVerified email at noble.ai
Ankit AgrawalResearch Professor, Northwestern UniversityVerified email at eecs.northwestern.edu

James Edward Saal

Citrine Informatics

Verified email at citrine.io

Materials Informatics Materials Science Materials Design CALPHAD ICME


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Materials design and discovery with high-throughput density functional theory: the open quantum materials database (OQMD) JE Saal, S Kirklin, M Aykol, B Meredig, C Wolverton Jom 65, 1501-1509, 2013	2192	2013
The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies S Kirklin, JE Saal, B Meredig, A Thompson, JW Doak, M Aykol, S Rühl, ... npj Computational Materials 1 (1), 1-15, 2015	1674	2015
Combinatorial screening for new materials in unconstrained composition space with machine learning B Meredig, A Agrawal, S Kirklin, JE Saal, JW Doak, A Thompson, K Zhang, ... Physical Review B 89 (9), 094104, 2014	755	2014
High-throughput computational screening of perovskites for thermochemical water splitting applications AA Emery, JE Saal, S Kirklin, VI Hegde, C Wolverton Chemistry of Materials 28 (16), 5621-5634, 2016	266	2016
Enthalpies of formation of magnesium compounds from first-principles calculations H Zhang, S Shang, JE Saal, A Saengdeejing, Y Wang, LQ Chen, ZK Liu intermetallics 17 (11), 878-885, 2009	210	2009
Passivation of a corrosion resistant high entropy alloy in non-oxidizing sulfate solutions KF Quiambao, SJ McDonnell, DK Schreiber, AY Gerard, KM Freedy, P Lu, ... Acta materialia 164, 362-376, 2019	181	2019
Thermodynamic stability of Mg-based ternary long-period stacking ordered structures JE Saal, C Wolverton Acta Materialia 68, 325-338, 2014	154	2014
Computational materials design of a corrosion resistant high entropy alloy for harsh environments P Lu, JE Saal, GB Olson, T Li, OJ Swanson, GS Frankel, AY Gerard, ... Scripta Materialia 153, 19-22, 2018	123	2018
Integrated computational materials engineering of corrosion resistant alloys CD Taylor, P Lu, J Saal, GS Frankel, JR Scully npj Materials Degradation 2 (1), 6, 2018	121	2018
Predicting β′ precipitate morphology and evolution in Mg–RE alloys using a combination of first-principles calculations and phase-field modeling YZ Ji, A Issa, TW Heo, JE Saal, C Wolverton, LQ Chen Acta materialia 76, 259-271, 2014	121	2014
Machine learning in materials discovery: confirmed predictions and their underlying approaches JE Saal, AO Oliynyk, B Meredig Annual Review of Materials Research 50, 49-69, 2020	114	2020
Equilibrium high entropy alloy phase stability from experiments and thermodynamic modeling JE Saal, IS Berglund, JT Sebastian, PK Liaw, GB Olson Scripta Materialia 146, 5-8, 2018	109	2018
High-throughput computational search for strengthening precipitates in alloys S Kirklin, JE Saal, VI Hegde, C Wolverton Acta Materialia 102, 125-135, 2016	109	2016
Approaching chemical accuracy with density functional calculations: Diatomic energy corrections S Grindy, B Meredig, S Kirklin, JE Saal, C Wolverton Physical Review B—Condensed Matter and Materials Physics 87 (7), 075150, 2013	106	2013
Localized corrosion behavior of a single-phase non-equimolar high entropy alloy T Li, OJ Swanson, GS Frankel, AY Gerard, P Lu, JE Saal, JR Scully Electrochimica Acta 306, 71-84, 2019	102	2019
Thermodynamic stability of Co–Al–W L12 γ′ JE Saal, C Wolverton Acta materialia 61 (7), 2330-2338, 2013	102	2013
Formation of high-strength β′ precipitates in Mg–RE alloys: the role of the Mg/β ″interfacial instability A Issa, JE Saal, C Wolverton Acta Materialia 83, 75-83, 2015	101	2015
Prediction of seebeck coefficient for compounds without restriction to fixed stoichiometry: A machine learning approach A Furmanchuk, JE Saal, JW Doak, GB Olson, A Choudhary, A Agrawal Journal of computational chemistry 39 (4), 191-202, 2018	90	2018
The structural evolution of boron carbide via ab initio calculations JE Saal, S Shang, ZK Liu Applied Physics Letters 91, 231915, 2007	88	2007
Physical factors controlling the observed high-strength precipitate morphology in Mg–rare earth alloys A Issa, JE Saal, C Wolverton Acta materialia 65, 240-250, 2014	85	2014

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