James Edward Saal
James Edward Saal
Citrine Informatics
Verified email at citrine.io
TitleCited byYear
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 (11), 1501-1509, 2013
4922013
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, 15010, 2015
2152015
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
1962014
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
1372009
The structural evolution of boron carbide via ab initio calculations
JE Saal, S Shang, ZK Liu
Applied Physics Letters 91, 231915, 2007
682007
Thermodynamic stability of Mg-based ternary long-period stacking ordered structures
JE Saal, C Wolverton
Acta Materialia 68, 325-338, 2014
662014
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
632016
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
512014
Approaching chemical accuracy with density functional calculations: Diatomic energy corrections
S Grindy, B Meredig, S Kirklin, JE Saal, C Wolverton
Physical Review B 87 (7), 075150, 2013
512013
First-principles lattice dynamics and heat capacity of BiFeO3
Y Wang, JE Saal, P Wu, J Wang, S Shang, ZK Liu, LQ Chen
Acta Materialia, 2011
492011
Thermodynamic stability of Co–Al–W L12γ′
JE Saal, C Wolverton
Acta Materialia 61 (7), 2330-2338, 2013
462013
Thermodynamic stability of Mg–Y–Zn long-period stacking ordered structures
JE Saal, C Wolverton
Scripta Materialia 67 (10), 798-801, 2012
452012
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
432014
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
372015
Solute–vacancy binding of the rare earths in magnesium from first principles
JE Saal, C Wolverton
Acta Materialia 60 (13-14), 5151-5159, 2012
372012
High-throughput computational search for strengthening precipitates in alloys
S Kirklin, JE Saal, VI Hegde, C Wolverton
Acta Materialia 102, 125-135, 2016
302016
Magnetic thermodynamics of fcc Ni from first-principles partition function approach
SL Shang, JE Saal, ZG Mei, Y Wang, ZK Liu
Journal of Applied Physics 108, 123514, 2010
292010
Thermodynamic modeling of the Cu–Si system
D Shin, JE Saal, ZK Liu
Calphad 32 (3), 520-526, 2008
262008
Broken symmetry, strong correlation, and splitting between longitudinal and transverse optical phonons of MnO and NiO from first principles
Y Wang, JE Saal, JJ Wang, A Saengdeejing, SL Shang, LQ Chen, ZK Liu
Physical Review B 82 (8), 081104, 2010
252010
Effects of carbon in MgB thin films: Intrinsic or extrinsic
A Saengdeejing, JE Saal, Y Wang, ZK Liu
Applied physics letters 90, 151920, 2007
212007
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Articles 1–20