| 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 | 1684 | 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 thermoelectric performance of p-type SnTe via a synergistic band engineering and nanostructuring approach G Tan, LD Zhao, F Shi, JW Doak, SH Lo, H Sun, C Wolverton, VP Dravid, ... Journal of the American Chemical Society 136 (19), 7006-7017, 2014 | 639 | 2014 |
| Origin of the High Performance in GeTe-Based Thermoelectric Materials upon Bi2Te3 Doping D Wu, LD Zhao, S Hao, Q Jiang, F Zheng, JW Doak, H Wu, H Chi, ... Journal of the American Chemical Society 136 (32), 11412-11419, 2014 | 389 | 2014 |
| Extraordinary role of Hg in enhancing the thermoelectric performance of p-type SnTe G Tan, F Shi, JW Doak, H Sun, LD Zhao, P Wang, C Uher, C Wolverton, ... Energy & Environmental Science 8 (1), 267-277, 2015 | 381 | 2015 |
| High ZT in p-Type (PbTe)1–2x(PbSe)x(PbS)x Thermoelectric Materials RJ Korkosz, TC Chasapis, S Lo, JW Doak, YJ Kim, CI Wu, E Hatzikraniotis, ... Journal of the American Chemical Society 136 (8), 3225-3237, 2014 | 282 | 2014 |
| Role of sodium doping in lead chalcogenide thermoelectrics J He, LD Zhao, JC Zheng, JW Doak, H Wu, HQ Wang, Y Lee, C Wolverton, ... Journal of the American Chemical Society 135 (12), 4624-4627, 2013 | 149 | 2013 |
| Morphology control of nanostructures: Na-doped PbTe–PbS system J He, ID Blum, HQ Wang, SN Girard, J Doak, LD Zhao, JC Zheng, ... Nano letters 12 (11), 5979-5984, 2012 | 122 | 2012 |
| 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 |
| Effect of particle size distributions on absorbance spectra of gold nanoparticles J Doak, RK Gupta, K Manivannan, K Ghosh, PK Kahol Physica E: Low-dimensional Systems and Nanostructures 42 (5), 1605-1609, 2010 | 84 | 2010 |
| Ab initio study of intrinsic point defects in PbTe: an insight into phase stability S Bajaj, GS Pomrehn, JW Doak, W Gierlotka, H Wu, SW Chen, ... Acta Materialia 92, 72-80, 2015 | 58 | 2015 |
| Coherent and incoherent phase stabilities of thermoelectric rocksalt IV-VI semiconductor alloys J Doak, C Wolverton Physical Review B, 2012 | 56 | 2012 |
| Phosphorus allotropes: Stability of black versus red phosphorus re-examined by means of the van der Waals inclusive density functional method M Aykol, JW Doak, C Wolverton Physical Review B 95 (21), 214115, 2017 | 36 | 2017 |
| Determining dilute-limit solvus boundaries in multi-component systems using defect energetics: Na in PbTe and PbS JW Doak, KJ Michel, C Wolverton Journal of Materials Chemistry C 3 (40), 10630-10649, 2015 | 36 | 2015 |
| Vibrational contributions to the phase stability of PbS-PbTe alloys JW Doak, C Wolverton, V Ozoliņš Physical Review B 92 (17), 174306, 2015 | 33 | 2015 |
| Stability and equation of state of post-aragonite BaCO3 JP Townsend, YY Chang, X Lou, M Merino, SJ Kirklin, JW Doak, A Issa, ... Physics and Chemistry of Minerals 40, 447-453, 2013 | 21 | 2013 |
| Calculation of dopant solubilities and phase diagrams of X–Pb–Se (X= Br, Na) limited to defects with localized charge S Bajaj, H Wang, JW Doak, C Wolverton, GJ Snyder Journal of Materials Chemistry C 4 (9), 1769-1775, 2016 | 17 | 2016 |
| Thermodynamic modeling of the PbX (X= S, Te) phase diagram using a five sub-lattice and two sub-lattice model MC Peters, JW Doak, WW Zhang, JE Saal, GB Olson, PW Voorhees Calphad 58, 17-24, 2017 | 16 | 2017 |
| Using first-principles calculations in CALPHAD models to determine carrier concentration of the binary PbSe semiconductor MC Peters, JW Doak, JE Saal, GB Olson, PW Voorhees Journal of Electronic Materials 48, 1031-1043, 2019 | 13 | 2019 |
| Computational prediction of nanostructured alloys with enhanced thermoelectric properties JW Doak, S Hao, S Kirklin, C Wolverton Physical Review Materials 3 (10), 105404, 2019 | 5 | 2019 |
James Edward SaalCitrine InformaticsVerified email at citrine.io
