Chris Wolverton, PhD - Publications

Affiliations: 
Materials Science and Engineering Northwestern University, Evanston, IL 
Area:
computational materials science, energy storage
Website:
http://matsci.northwestern.edu/people/faculty/profiles/chris-m-wolverton.html

251 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Zhang X, Hao S, Tan G, Hu X, Roth EW, Kanatzidis MG, Wolverton C, Dravid VP. Ion Beam Induced Artifacts in Lead-Based Chalcogenides. Microscopy and Microanalysis : the Official Journal of Microscopy Society of America, Microbeam Analysis Society, Microscopical Society of Canada. 1-9. PMID 31084647 DOI: 10.1017/S1431927619000503  0.72
2019 Aykol M, Hegde VI, Hung L, Suram S, Herring P, Wolverton C, Hummelshøj JS. Network analysis of synthesizable materials discovery. Nature Communications. 10: 2018. PMID 31043603 DOI: 10.1038/s41467-019-10030-5  1
2019 Li Q, Yao Z, Lee E, Xu Y, Thackeray MM, Wolverton C, Dravid VP, Wu J. Dynamic imaging of crystalline defects in lithium-manganese oxide electrodes during electrochemical activation to high voltage. Nature Communications. 10: 1692. PMID 30979874 DOI: 10.1038/s41467-019-09408-2  0.76
2019 Luo ZZ, Hao S, Cai S, Bailey TP, Tan G, Luo Y, Spanopoulos I, Uher C, Wolverton C, Dravid VP, Yan Q, Kanatzidis MG. Enhancement of Thermoelectric Performance for n-type PbS through Synergy of Gap State and Fermi Level Pinning. Journal of the American Chemical Society. PMID 30916942 DOI: 10.1021/jacs.9b01889  0.72
2019 Chen PC, Liu M, Du JS, Meckes B, Wang S, Lin H, Dravid VP, Wolverton C, Mirkin CA. Interface and heterostructure design in polyelemental nanoparticles. Science (New York, N.Y.). 363: 959-964. PMID 30819959 DOI: 10.1126/science.aav4302  0.72
2019 He J, Xia Y, Naghavi SS, Ozoliņš V, Wolverton C. Designing chemical analogs to PbTe with intrinsic high band degeneracy and low lattice thermal conductivity. Nature Communications. 10: 719. PMID 30755609 DOI: 10.1038/s41467-019-08542-1  0.76
2019 Tan G, Zhang X, Hao S, Chi H, Bailey TP, Su X, Uher C, Dravid VP, Wolverton C, Kanatzidis MG. Enhanced Density-of-states Effective Mass and Strained Endotaxial Nanostructures in Sb-doped Pb0.97Cd0.03Te Thermoelectric Alloys. Acs Applied Materials & Interfaces. PMID 30715833 DOI: 10.1021/acsami.8b21524  0.72
2019 Xu Y, Park JH, Yao Z, Wolverton C, Razeghi M, Wu J, Dravid VP. Strain-Induced Metastable Phase Stabilization in Ga2O3 Thin Films. Acs Applied Materials & Interfaces. PMID 30628429 DOI: 10.1021/acsami.8b17731  0.76
2018 Li J, Zhou Y, Hao S, Zhang T, Wolverton C, Zhao J, Zhao LD. Thermoelectric Material SnPbBiS: The L Member of Lillianite Homologous Series with Low Lattice Thermal Conductivity. Inorganic Chemistry. PMID 30596247 DOI: 10.1021/acs.inorgchem.8b02899  0.6
2018 Nakhanivej P, Yu X, Park SK, Kim S, Hong JY, Kim HJ, Lee W, Hwang JY, Yang JE, Wolverton C, Kong J, Chhowalla M, Park HS. Revealing molecular-level surface redox sites of controllably oxidized black phosphorus nanosheets. Nature Materials. PMID 30531848 DOI: 10.1038/s41563-018-0230-2  0.64
2018 Jha D, Ward L, Paul A, Liao WK, Choudhary A, Wolverton C, Agrawal A. ElemNet: Deep Learning the Chemistry of Materials From Only Elemental Composition. Scientific Reports. 8: 17593. PMID 30514926 DOI: 10.1038/s41598-018-35934-y  0.36
2018 Hodges JM, Hao S, Grovogui JA, Zhang X, Bailey TP, Li X, Gan Z, Hu YY, Uher C, Dravid VP, Wolverton C, Kanatzidis MG. Chemical Insights into PbSe-x%HgSe: High Power Factor and Improved Thermoelectric Performance by Alloying with Discordant Atoms. Journal of the American Chemical Society. PMID 30461275 DOI: 10.1021/jacs.8b11050  0.72
2018 Kim S, Yao Z, Lim JM, Hersam MC, Wolverton C, Dravid VP, He K. Atomic-Scale Observation of Electrochemically Reversible Phase Transformations in SnSe Single Crystals. Advanced Materials (Deerfield Beach, Fla.). e1804925. PMID 30368925 DOI: 10.1002/adma.201804925  0.76
2018 Li Y, Majewski MB, Islam SM, Hao S, Murthy AA, DiStefano JG, Hanson ED, Xu Y, Wolverton C, Kanatzidis MG, Wasielewski MR, Chen X, Dravid VP. Morphological Engineering of Winged Au@MoS2 Heterostructures for Electrocatalytic Hydrogen Evolution. Nano Letters. PMID 30296380 DOI: 10.1021/acs.nanolett.8b03109  0.72
2018 Li Y, Hao S, DiStefano JG, Murthy AA, Hanson ED, Xu Y, Wolverton C, Chen X, Dravid VP. Site-Specific Positioning and Patterning of MoS2 Monolayers - The Role of Au Seeding. Acs Nano. PMID 30125491 DOI: 10.1021/acsnano.8b02409  0.72
2018 Zhao J, Hao S, Islam SM, Chen H, Ma S, Wolverton C, Kanatzidis MG. Quaternary Chalcogenide Semiconductors with 2D Structures: RbZnBiSe and CsCdBiTe. Inorganic Chemistry. PMID 30009600 DOI: 10.1021/acs.inorgchem.8b01383  0.6
2018 Li Q, Xu Y, Yao Z, Kang J, Liu X, Wolverton C, Hersam MC, Wu J, Dravid VP. Revealing the Effects of Electrode Crystallographic Orientation on Battery Electrochemistry via the Anisotropic Lithiation and Sodiation of ReS2. Acs Nano. PMID 29986135 DOI: 10.1021/acsnano.8b02203  0.76
2018 Tu Q, Spanopoulos I, Hao S, Wolverton C, Kanatzidis MG, Shekhawat GS, Dravid VP. Out-of-Plane Mechanical Properties of 2D Hybrid Organic-Inorganic Perovskites by Nanoindentation. Acs Applied Materials & Interfaces. PMID 29882400 DOI: 10.1021/acsami.8b05138  0.72
2018 Slade TJ, Grovogui JA, Hao S, Bailey TP, Ma R, Hua X, Guéguen A, Uher C, Wolverton C, Dravid VP, Kanatzidis MG. Absence of Nanostructuring in NaPb SbTe : Solid Solutions with High Thermoelectric Performance in the Intermediate Temperature Regime. Journal of the American Chemical Society. PMID 29799729 DOI: 10.1021/jacs.8b04193  0.72
2018 Yao Z, Kim S, He J, Hegde VI, Wolverton C. Interplay of cation and anion redox in LiMnO cathode material and prediction of improved Li(Mn,M)O electrodes for Li-ion batteries. Science Advances. 4: eaao6754. PMID 29795779 DOI: 10.1126/sciadv.aao6754  0.76
2018 Murthy AA, Stanev TK, Cain JD, Hao S, LaMountain T, Kim SK, Speiser NA, Watanabe K, Taniguchi T, Wolverton C, Stern NP, Dravid VP. Intrinsic transport in 2D heterostructures mediated through h-BN tunneling contacts. Nano Letters. PMID 29678116 DOI: 10.1021/acs.nanolett.8b00444  0.72
2018 Kim S, Hegde VI, Yao Z, Lu Z, Amsler M, He J, Hao S, Croy JR, Lee E, Thackeray MM, Wolverton C. First-principles Study of Lithium Cobalt Spinel Oxides: Correlating Structure and Electrochemistry. Acs Applied Materials & Interfaces. PMID 29616800 DOI: 10.1021/acsami.8b00394  0.76
2018 Hwang S, Yao Z, Zhang L, Fu M, He K, Mai L, Wolverton C, Su D. Multi-Step Lithiation of Tin Sulfide: An Investigation Using In Situ Electron Microscopy. Acs Nano. PMID 29613765 DOI: 10.1021/acsnano.8b00758  0.76
2018 Huang L, Chen PC, Liu M, Fu X, Gordiichuk P, Yu Y, Wolverton C, Kang Y, Mirkin CA. Catalyst design by scanning probe block copolymer lithography. Proceedings of the National Academy of Sciences of the United States of America. PMID 29572429 DOI: 10.1073/pnas.1800884115  0.64
2018 Murthy AA, Li Y, Palacios E, Li Q, Hao S, DiStefano JG, Wolverton C, Aydin K, Chen X, Dravid VP. Optically-active 1-D MoSnano-belts. Acs Applied Materials & Interfaces. PMID 29446913 DOI: 10.1021/acsami.7b16892  0.72
2018 Khoury JF, Hao S, Stoumpos CC, Yao Z, Malliakas CD, Aydemir U, Slade TJ, Snyder GJ, Wolverton C, Kanatzidis MG. Quaternary Pavonites A1+xSn2-xBi5+xS10 (A+ = Li+, Na+): Site Occupancy Disorder Defines Electronic Structure. Inorganic Chemistry. PMID 29411610 DOI: 10.1021/acs.inorgchem.7b03091  0.76
2018 Zheng Z, Su X, Deng R, Stoumpos CC, Xie H, Liu W, Yan Y, Hao S, Uher C, Wolverton C, Kanatzidis MG, Tang X. Rhombohedral to Cubic Conversion of GeTe via MnTe alloying Leads to Ultralow Thermal Conductivity, Electronic Band Convergence and High Thermoelectric Performance. Journal of the American Chemical Society. PMID 29350916 DOI: 10.1021/jacs.7b13611  0.6
2017 Liu H, Li Q, Yao Z, Li L, Li Y, Wolverton C, Hersam MC, Wu J, Dravid VP. Origin of Fracture-Resistance to Large Volume Change in Cu-Substituted Co3 O4 Electrodes. Advanced Materials (Deerfield Beach, Fla.). PMID 29210479 DOI: 10.1002/adma.201704851  0.76
2017 Naghavi SS, Emery AA, Hansen HA, Zhou F, Ozolins V, Wolverton C. Giant onsite electronic entropy enhances the performance of ceria for water splitting. Nature Communications. 8: 285. PMID 28819153 DOI: 10.1038/s41467-017-00381-2  0.56
2017 Zhao J, Islam SM, Hao S, Tan G, Stoumpos CC, Wolverton C, Chen H, Luo Z, Li R, Kanatzidis MG. Homologous 2D Chalcogenides Cs-Ag-Bi-Q (Q = S, Se) with Ion-exchange Properties. Journal of the American Chemical Society. PMID 28806875 DOI: 10.1021/jacs.7b06373  0.6
2017 He K, Yao Z, Hwang S, Li N, Sun K, Gan H, Du Y, Zhang H, Wolverton C, Su D. Kinetically-Driven Phase Transformation during Lithiation in Copper Sulfide Nanoflakes. Nano Letters. PMID 28800243 DOI: 10.1021/acs.nanolett.7b02694  0.76
2017 Amsler M, Naghavi SS, Wolverton C. Prediction of superconducting iron-bismuth intermetallic compounds at high pressure. Chemical Science. 8: 2226-2234. PMID 28507678 DOI: 10.1039/c6sc04683e  0.56
2017 Tan G, Hao S, Zhao J, Wolverton C, Kanatzidis MG. High Thermoelectric Performance in Electron-doped AgBi3S5 with Ultralow Thermal Conductivity. Journal of the American Chemical Society. PMID 28418258 DOI: 10.1021/jacs.7b02399  0.6
2017 Chen KS, Xu R, Luu NS, Secor EB, Hamamoto K, Li Q, Kim S, Sangwan VK, Balla I, Guiney LM, Seo JT, Yu X, Liu W, Wu J, Wolverton C, et al. Comprehensive Enhancement of Nanostructured Lithium-Ion Battery Cathode Materials via Conformal Graphene Dispersion. Nano Letters. PMID 28240911 DOI: 10.1021/acs.nanolett.7b00274  0.72
2016 Li Y, Cain JD, Hanson ED, Murthy AA, Hao S, Shi F, Li Q, Wolverton C, Chen X, Dravid VP. Au@MoS2 Core-shell Heterostructures with Strong Light-Matter Interactions. Nano Letters. PMID 27782405 DOI: 10.1021/acs.nanolett.6b03764  0.72
2016 Clarke SM, Walsh JP, Amsler M, Malliakas CD, Yu T, Goedecker S, Wang Y, Wolverton C, Freedman DE. Discovery of a Superconducting Cu-Bi Intermetallic Compound by High-Pressure Synthesis. Angewandte Chemie (International Ed. in English). PMID 27666749 DOI: 10.1002/anie.201605902  1
2016 Li Q, Liu H, Yao Z, Cheng J, Li T, Li Y, Wolverton C, Wu J, Dravid VP. Electrochemistry of Selenium with Sodium and Lithium: Kinetics and Reaction Mechanism. Acs Nano. PMID 27564846 DOI: 10.1021/acsnano.6b04519  1
2016 He J, Amsler M, Xia Y, Naghavi SS, Hegde VI, Hao S, Goedecker S, Ozoliņš V, Wolverton C. Ultralow Thermal Conductivity in Full Heusler Semiconductors. Physical Review Letters. 117: 046602. PMID 27494488 DOI: 10.1103/PhysRevLett.117.046602  0.76
2016 Tan G, Shi F, Hao S, Zhao LD, Chi H, Zhang X, Uher C, Wolverton C, Dravid VP, Kanatzidis MG. Non-equilibrium processing leads to record high thermoelectric figure of merit in PbTe-SrTe. Nature Communications. 7: 12167. PMID 27456303 DOI: 10.1038/ncomms12167  0.72
2016 Zhu L, Amsler M, Fuhrer T, Schaefer B, Faraji S, Rostami S, Ghasemi SA, Sadeghi A, Grauzinyte M, Wolverton C, Goedecker S. A fingerprint based metric for measuring similarities of crystalline structures. The Journal of Chemical Physics. 144: 034203. PMID 26801027 DOI: 10.1063/1.4940026  1
2016 Kercher AK, Kolopus JA, Carroll KJ, Unocic RR, Kirklin S, Wolverton C, Stooksbury SL, Boatner LA, Dudney NJ. Mixed polyanion glass cathodes: Glass-state conversion reactions Journal of the Electrochemical Society. 163: A131-A137. DOI: 10.1149/2.0381602jes  1
2016 Deml AM, O'Hayre R, Wolverton C, Stevanović V. Predicting density functional theory total energies and enthalpies of formation of metal-nonmetal compounds by linear regression Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/PhysRevB.93.085142  1
2016 Bajaj S, Wang H, Doak JW, Wolverton C, Jeffrey Snyder G. Calculation of dopant solubilities and phase diagrams of X-Pb-Se (X = Br, Na) limited to defects with localized charge Journal of Materials Chemistry C. 4: 1769-1775. DOI: 10.1039/c5tc03970c  1
2016 Wang Y, Michel K, Wolverton C. Hydrogen diffusion in bulk MgB2 Scripta Materialia. 117: 86-91. DOI: 10.1016/j.scriptamat.2016.02.020  1
2016 Saal JE, Wolverton C. Energetics of antiphase boundaries in γ′ Co3(Al,W)-based superalloys Acta Materialia. 103: 57-62. DOI: 10.1016/j.actamat.2015.10.007  1
2016 Kirklin S, Saal JE, Hegde VI, Wolverton C. High-throughput computational search for strengthening precipitates in alloys Acta Materialia. 102: 125-135. DOI: 10.1016/j.actamat.2015.09.016  1
2015 Kim S, Noh JK, Aykol M, Lu Z, Kim H, Choi W, Kim C, Chung KY, Wolverton C, Cho BW. Layered-Layered-Spinel Cathode Materials Prepared by a High-Energy Ball-Milling Process for Lithium-ion Batteries. Acs Applied Materials & Interfaces. PMID 26645115 DOI: 10.1021/acsami.5b08906  1
2015 Zhao LD, Tan G, Hao S, He J, Pei Y, Chi H, Wang H, Gong S, Xu H, Dravid VP, Uher C, Snyder GJ, Wolverton C, Kanatzidis MG. Ultrahigh power factor and thermoelectric performance in hole-doped single-crystal SnSe. Science (New York, N.Y.). PMID 26612831 DOI: 10.1126/science.aad3749  1
2015 Ward L, Michel K, Wolverton C. Three new crystal structures in the Na-Pb system: solving structures without additional experimental input. Acta Crystallographica. Section a, Foundations and Advances. 71: 542-8. PMID 26317197 DOI: 10.1107/S2053273315012516  1
2015 Tan G, Shi F, Hao S, Chi H, Bailey TP, Zhao LD, Uher C, Wolverton C, Dravid VP, Kanatzidis MG. Valence Band Modification and High Thermoelectric Performance in SnTe Heavily Alloyed with MnTe. Journal of the American Chemical Society. 137: 11507-16. PMID 26308902 DOI: 10.1021/jacs.5b07284  0.72
2015 Tan G, Shi F, Hao S, Chi H, Zhao LD, Uher C, Wolverton C, Dravid VP, Kanatzidis MG. Codoping in SnTe: Enhancement of Thermoelectric Performance through Synergy of Resonance Levels and Band Convergence. Journal of the American Chemical Society. 137: 5100-12. PMID 25856499 DOI: 10.1021/jacs.5b00837  1
2015 Yu Y, Aykol M, Wolverton C. Reaction thermochemistry of metal sulfides with GGA and GGA+U calculations Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/PhysRevB.92.195118  1
2015 Kim S, Aykol M, Wolverton C. Surface phase diagram and stability of (001) and (111) LiM n2 O4 spinel oxides Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/PhysRevB.92.115411  1
2015 Wang Y, Michel K, Zhang Y, Wolverton C. Thermodynamic stability of transition metals on the Mg-terminated MgB2 (0001) surface and their effects on hydrogen dissociation and diffusion Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/PhysRevB.91.155431  1
2015 Doak JW, Michel KJ, Wolverton C. Determining dilute-limit solvus boundaries in multi-component systems using defect energetics: Na in PbTe and PbS Journal of Materials Chemistry C. 3: 10630-10649. DOI: 10.1039/c5tc02252e  1
2015 Xu S, Jacobs RM, Nguyen HM, Hao S, Mahanthappa M, Wolverton C, Morgan D. Lithium transport through lithium-ion battery cathode coatings Journal of Materials Chemistry A. 3: 17248-17272. DOI: 10.1039/c5ta01664a  1
2015 Tan G, Shi F, Doak JW, Sun H, Zhao LD, Wang P, Uher C, Wolverton C, Dravid VP, Kanatzidis MG. Extraordinary role of Hg in enhancing the thermoelectric performance of p-type SnTe Energy and Environmental Science. 8: 267-277. DOI: 10.1039/c4ee01463d  1
2015 Tan G, Shi F, Hao S, Chi H, Bailey TP, Zhao LD, Uher C, Wolverton C, Dravid VP, Kanatzidis MG. Valence Band Modification and High Thermoelectric Performance in SnTe Heavily Alloyed with MnTe Journal of the American Chemical Society. 137: 11507-11516. DOI: 10.1021/jacs.5b07284  1
2015 Aykol M, Kim S, Wolverton C. Van der Waals Interactions in Layered Lithium Cobalt Oxides Journal of Physical Chemistry C. 119: 19053-19058. DOI: 10.1021/acs.jpcc.5b06240  1
2015 Bajaj S, Pomrehn GS, Doak JW, Gierlotka W, Wu HJ, Chen SW, Wolverton C, Goddard WA, Jeffrey Snyder G. Ab initio study of intrinsic point defects in PbTe: An insight into phase stability Acta Materialia. 92: 72-80. DOI: 10.1016/j.actamat.2015.03.034  1
2015 Issa A, Saal JE, Wolverton C. Formation of high-strength β ′ precipitates in Mg-RE alloys: The role of the Mg/β ″ interfacial instability Acta Materialia. 83: 75-83. DOI: 10.1016/j.actamat.2014.09.024  1
2015 Wolverton C. Quantification of root gravitropic response using a constant stimulus feedback system Methods in Molecular Biology. 1309: 23-30. DOI: 10.1007/978-1-4939-2697-8_3  0.32
2015 Jaber-Ansari L, Puntambekar KP, Kim S, Aykol M, Luo L, Wu J, Myers BD, Iddir H, Russell JT, Saldaña SJ, Kumar R, Thackeray MM, Curtiss LA, Dravid VP, Wolverton C, et al. Suppressing Manganese Dissolution from Lithium Manganese Oxide Spinel Cathodes with Single-Layer Graphene Advanced Energy Materials. DOI: 10.1002/aenm.201500646  1
2014 Cho JH, Aykol M, Kim S, Ha JH, Wolverton C, Chung KY, Kim KB, Cho BW. Controlling the intercalation chemistry to design high-performance dual-salt hybrid rechargeable batteries. Journal of the American Chemical Society. 136: 16116-9. PMID 25364815 DOI: 10.1021/ja508463z  1
2014 Huang YK, Cain JD, Peng L, Hao S, Chasapis T, Kanatzidis MG, Wolverton C, Grayson M, Dravid VP. Evaporative thinning: a facile synthesis method for high quality ultrathin layers of 2D crystals. Acs Nano. 8: 10851-7. PMID 25233478 DOI: 10.1021/nn504664p  1
2014 Kirklin S, Chan MK, Trahey L, Thackeray MM, Wolverton C. High-throughput screening of high-capacity electrodes for hybrid Li-ion-Li-O₂ cells. Physical Chemistry Chemical Physics : Pccp. 16: 22073-82. PMID 25209334 DOI: 10.1039/c4cp03597f  1
2014 Wu D, Zhao LD, Hao S, Jiang Q, Zheng F, Doak JW, Wu H, Chi H, Gelbstein Y, Uher C, Wolverton C, Kanatzidis M, He J. Origin of the high performance in GeTe-based thermoelectric materials upon Bi2Te3 doping. Journal of the American Chemical Society. 136: 11412-9. PMID 25072797 DOI: 10.1021/ja504896a  1
2014 Han K, Shen J, Hao S, Ye H, Wolverton C, Kung MC, Kung HH. Free-standing nitrogen-doped graphene paper as electrodes for high-performance lithium/dissolved polysulfide batteries Chemsuschem. 7: 2545-2553. PMID 25049064 DOI: 10.1002/cssc.201402329  1
2014 Tan G, Zhao LD, Shi F, Doak JW, Lo SH, Sun H, Wolverton C, Dravid VP, Uher C, Kanatzidis MG. High thermoelectric performance of p-type SnTe via a synergistic band engineering and nanostructuring approach. Journal of the American Chemical Society. 136: 7006-17. PMID 24785377 DOI: 10.1021/ja500860m  1
2014 Zhao LD, Lo SH, Zhang Y, Sun H, Tan G, Uher C, Wolverton C, Dravid VP, Kanatzidis MG. Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals. Nature. 508: 373-7. PMID 24740068 DOI: 10.1038/nature13184  1
2014 Zhang Y, Kresse G, Wolverton C. Nonlocal first-principles calculations in Cu-Au and other intermetallic alloys. Physical Review Letters. 112: 075502. PMID 24579611 DOI: 10.1103/PhysRevLett.112.075502  1
2014 Thompson AE, Meredig B, Wolverton C. An improved interatomic potential for xenon in UO2: A combined density functional theory/genetic algorithm approach Journal of Physics Condensed Matter. 26. PMID 24553248 DOI: 10.1088/0953-8984/26/10/105501  1
2014 Korkosz RJ, Chasapis TC, Lo SH, Doak JW, Kim YJ, Wu CI, Hatzikraniotis E, Hogan TP, Seidman DN, Wolverton C, Dravid VP, Kanatzidis MG. High ZT in p-type (PbTe)1-2x(PbSe)x(PbS)x thermoelectric materials. Journal of the American Chemical Society. 136: 3225-37. PMID 24533466 DOI: 10.1021/ja4121583  1
2014 Hao S, Zhao LD, Chen CQ, Dravid VP, Kanatzidis MG, Wolverton CM. Theoretical prediction and experimental confirmation of unusual ternary ordered semiconductor compounds in Sr-Pb-S system. Journal of the American Chemical Society. 136: 1628-35. PMID 24397485 DOI: 10.1021/ja411857y  1
2014 Bhattacharya J, Wolverton C. Prediction of quaternary spinel oxides as Li-battery cathodes: Cation site preference, metal mixing, voltage and phase stability Journal of the Electrochemical Society. 161: A1440-A1446. DOI: 10.1149/2.0961409jes  1
2014 Zhang Y, Kresse G, Wolverton C. Nonlocal first-principles calculations in Cu-Au and other intermetallic alloys Physical Review Letters. 112. DOI: 10.1103/PhysRevLett.112.075502  1
2014 Aykol M, Wolverton C. Local environment dependent GGA+U method for accurate thermochemistry of transition metal compounds Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/PhysRevB.90.115105  1
2014 Meredig B, Agrawal A, Kirklin S, Saal JE, Doak JW, Thompson A, Zhang K, Choudhary A, Wolverton C. Combinatorial screening for new materials in unconstrained composition space with machine learning Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/PhysRevB.89.094104  1
2014 Frey K, Schmidt DJ, Wolverton C, Schneider WF. Implications of coverage-dependent O adsorption for catalytic NO oxidation on the late transition metals Catalysis Science and Technology. 4: 4356-4365. DOI: 10.1039/c4cy00763h  1
2014 Kirklin S, Chan MKY, Trahey L, Thackeray MM, Wolverton C. High-throughput screening of high-capacity electrodes for hybrid Li-ion-Li-O2 cells Physical Chemistry Chemical Physics. 16: 22073-22082. DOI: 10.1039/c4cp03597f  1
2014 Hansen HA, Wolverton C. Kinetics and thermodynamics of H2O dissociation on reduced CeO2(111) Journal of Physical Chemistry C. 118: 27402-27414. DOI: 10.1021/jp508666c  1
2014 Zhang Y, Farrell D, Yang J, Sudik A, Wolverton C. Crystal structures, phase stability, and decomposition reactions in the quaternary Mg-B-N-H hydrogen storage system Journal of Physical Chemistry C. 118: 11193-11202. DOI: 10.1021/jp500318e  1
2014 Chen W, Schneider WF, Wolverton C. Trends in atomic adsorption on Pt3M(111) transition metal bimetallic surface overlayers Journal of Physical Chemistry C. 118: 8342-8349. DOI: 10.1021/jp410607k  1
2014 Zhang Y, Ozoliniņš V, Morelli D, Wolverton C. Prediction of new stable compounds and promising thermoelectrics in the cu-Sb-Se system Chemistry of Materials. 26: 3427-3435. DOI: 10.1021/cm5006828  1
2014 Park JS, Meng X, Elam JW, Hao S, Wolverton C, Kim C, Cabana J. Ultrathin lithium-ion conducting coatings for increased interfacial stability in high voltage lithium-ion batteries Chemistry of Materials. 26: 3128-3134. DOI: 10.1021/cm500512n  1
2014 Meredig B, Wolverton C. Dissolving the periodic table in cubic zirconia: Data mining to discover chemical trends Chemistry of Materials. 26: 1985-1991. DOI: 10.1021/cm403727z  1
2014 Thompson AE, Meredig B, Stan M, Wolverton C. Interatomic potential for accurate phonons and defects in UO2 Journal of Nuclear Materials. 446: 155-162. DOI: 10.1016/j.jnucmat.2013.11.040  1
2014 Michel KJ, Wolverton C. Symmetry building Monte Carlo-based crystal structure prediction Computer Physics Communications. 185: 1389-1393. DOI: 10.1016/j.cpc.2014.01.015  1
2014 Ji YZ, Issa A, Heo TW, Saal JE, Wolverton C, Chen LQ. Predicting β′ precipitate morphology and evolution in Mg-RE alloys using a combination of first-principles calculations and phase-field modeling Acta Materialia. 76: 259-271. DOI: 10.1016/j.actamat.2014.05.002  1
2014 Issa A, Saal JE, Wolverton C. Physical factors controlling the observed high-strength precipitate morphology in Mg-rare earth alloys Acta Materialia. 65: 240-250. DOI: 10.1016/j.actamat.2013.10.066  1
2014 Saal JE, Wolverton C. Thermodynamic stability of Mg-based ternary long-period stacking ordered structures Acta Materialia. 68: 325-338. DOI: 10.1016/j.actamat.2013.10.055  1
2014 Aykol M, Kirklin S, Wolverton C. Thermodynamic aspects of cathode coatings for lithium-ion batteries Advanced Energy Materials. 4. DOI: 10.1002/aenm.201400690  1
2013 Zhao LD, Hao S, Lo SH, Wu CI, Zhou X, Lee Y, Li H, Biswas K, Hogan TP, Uher C, Wolverton C, Dravid VP, Kanatzidis MG. High thermoelectric performance via hierarchical compositionally alloyed nanostructures. Journal of the American Chemical Society. 135: 7364-70. PMID 23647245 DOI: 10.1021/ja403134b  1
2013 Bhattacharya J, Wolverton C. Relative stability of normal vs. inverse spinel for 3d transition metal oxides as lithium intercalation cathodes. Physical Chemistry Chemical Physics : Pccp. 15: 6486-98. PMID 23529669 DOI: 10.1039/c3cp50910a  1
2013 He J, Zhao LD, Zheng JC, Doak JW, Wu H, Wang HQ, Lee Y, Wolverton C, Kanatzidis MG, Dravid VP. Role of sodium doping in lead chalcogenide thermoelectrics. Journal of the American Chemical Society. 135: 4624-7. PMID 23445504 DOI: 10.1021/ja312562d  1
2013 Meredig B, Wolverton C. A hybrid computational-experimental approach for automated crystal structure solution. Nature Materials. 12: 123-7. PMID 23178265 DOI: 10.1038/nmat3490  1
2013 Bai H, Murali B, Barber K, Wolverton C. Low phosphate alters lateral root setpoint angle and gravitropism American Journal of Botany. 100: 175-182. PMID 23125433 DOI: 10.3732/ajb.1200285  0.32
2013 Wang Y, Zhang Y, Wolverton C. First-principles studies of phase stability and crystal structures in Li-Zn mixed-metal borohydrides Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/PhysRevB.88.024119  1
2013 Thompson AE, Wolverton C. Pathway and energetics of xenon migration in uranium dioxide Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/PhysRevB.87.104105  1
2013 Grindy S, Meredig B, Kirklin S, Saal JE, Wolverton C. Approaching chemical accuracy with density functional calculations: Diatomic energy corrections Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/PhysRevB.87.075150  1
2013 Mao Z, Seidman DN, Wolverton C. The effect of vibrational entropy on the solubility and stability of ordered Al3Li phases in Al-Li alloys Apl Materials. 1. DOI: 10.1063/1.4822439  1
2013 Zhao LD, Wu HJ, Hao SQ, Wu CI, Zhou XY, Biswas K, He JQ, Hogan TP, Uher C, Wolverton C, Dravid VP, Kanatzidis MG. All-scale hierarchical thermoelectrics: MgTe in PbTe facilitates valence band convergence and suppresses bipolar thermal transport for high performance Energy and Environmental Science. 6: 3346-3355. DOI: 10.1039/c3ee42187b  1
2013 Bhattacharya J, Wolverton C. Relative stability of normal vs. inverse spinel for 3d transition metal oxides as lithium intercalation cathodes Physical Chemistry Chemical Physics. 15: 6486-6498. DOI: 10.1039/c3cp50910a  1
2013 Meredig B, Wolverton C. A hybrid computational-experimental approach for automated crystal structure solution Nature Materials. 12: 123-127. DOI: 10.1038/nmat3490  1
2013 Thackeray MM, Chan MKY, Trahey L, Kirklin S, Wolverton C. Vision for designing high-energy, hybrid Li Ion/Li-O2 cells Journal of Physical Chemistry Letters. 4: 3607-3611. DOI: 10.1021/jz4018464  1
2013 Michel KJ, Zhang Y, Wolverton C. Fast mass transport kinetics in B20H16: A high-capacity hydrogen storage material Journal of Physical Chemistry C. 117: 19295-19301. DOI: 10.1021/jp402669u  1
2013 Hao S, Wolverton C. Lithium transport in amorphous Al2O3 and AlF 3 for discovery of battery coatings Journal of Physical Chemistry C. 117: 8009-8013. DOI: 10.1021/jp311982d  1
2013 Saal JE, Wolverton C. Thermodynamic stability of Co-Al-W L12 γ′ Acta Materialia. 61: 2330-2338. DOI: 10.1016/j.actamat.2013.01.004  1
2013 Saal JE, Kirklin S, Aykol M, Meredig B, Wolverton C. Materials design and discovery with high-throughput density functional theory: The open quantum materials database (OQMD) Jom. 65: 1501-1509. DOI: 10.1007/s11837-013-0755-4  1
2013 Townsend JP, Chang YY, Lou X, Merino M, Kirklin SJ, Doak JW, Issa A, Wolverton C, Tkachev SN, Dera P, Jacobsen SD. Stability and equation of state of post-aragonite BaCO3 Physics and Chemistry of Minerals. 40: 447-453. DOI: 10.1007/s00269-013-0582-8  1
2013 Kirklin S, Meredig B, Wolverton C. High-throughput computational screening of new Li-Ion battery anode materials Advanced Energy Materials. 3: 252-262. DOI: 10.1002/aenm.201200593  1
2012 Schmidt DJ, Chen W, Wolverton C, Schneider WF. Performance of Cluster Expansions of Coverage-Dependent Adsorption of Atomic Oxygen on Pt(111). Journal of Chemical Theory and Computation. 8: 264-73. PMID 26592887 DOI: 10.1021/ct200659c  0.52
2012 He J, Blum ID, Wang HQ, Girard SN, Doak J, Zhao LD, Zheng JC, Casillas G, Wolverton C, Jose-Yacaman M, Seidman DN, Kanatzidis MG, Dravid VP. Morphology control of nanostructures: Na-doped PbTe-PbS system. Nano Letters. 12: 5979-84. PMID 23072307 DOI: 10.1021/nl303449x  1
2012 Do D, Ozolins V, Mahanti SD, Lee MS, Zhang Y, Wolverton C. Physics of bandgap formation in Cu-Sb-Se based novel thermoelectrics: the role of Sb valency and Cu d levels. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 415502. PMID 23006499 DOI: 10.1088/0953-8984/24/41/415502  1
2012 Zhao LD, He J, Hao S, Wu CI, Hogan TP, Wolverton C, Dravid VP, Kanatzidis MG. Raising the thermoelectric performance of p-type PbS with endotaxial nanostructuring and valence-band offset engineering using CdS and ZnS. Journal of the American Chemical Society. 134: 16327-36. PMID 22991921 DOI: 10.1021/ja306527n  1
2012 Chan MK, Wolverton C, Greeley JP. First principles simulations of the electrochemical lithiation and delithiation of faceted crystalline silicon. Journal of the American Chemical Society. 134: 14362-74. PMID 22817384 DOI: 10.1021/ja301766z  1
2012 Chen W, Dalach P, Schneider WF, Wolverton C. Interplay between subsurface ordering, surface segregation, and adsorption on Pt-Ti(111) near-surface alloys. Langmuir : the Acs Journal of Surfaces and Colloids. 28: 4683-93. PMID 22352380 DOI: 10.1021/la204843q  1
2012 Gibala R, Counts WA, Wolverton C. Application of density functional theory to point defect anelasticity of carbon-containing austenitic alloys Solid State Phenomena. 184: 69-74. DOI: 10.4028/www.scientific.net/SSP.184.69  1
2012 Shin D, Wolverton C, Croy JR, Balasubramanian M, Kang SH, Rivera CML, Thackeray MM. First-principles calculations, electrochemical and X-ray absorption studies of Li-Ni-PO 4 surface-treated xLi 2MnO 3· (1-x)LiMO 2 (M = Mn, Ni, Co) electrodes for Li-ion batteries Journal of the Electrochemical Society. 159: A121-A127. DOI: 10.1149/2.098202jes  1
2012 Farrell DE, Wolverton C. Structure and diffusion in liquid complex hydrides via ab initio molecular dynamics Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/PhysRevB.86.174203  1
2012 Doak JW, Wolverton C. Coherent and incoherent phase stabilities of thermoelectric rocksalt IV-VI semiconductor alloys Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/PhysRevB.86.144202  1
2012 Zhang Y, Wang Y, Michel K, Wolverton C. First-principles insight into the degeneracy of ground-state LiBH 4 structures Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/PhysRevB.86.094111  1
2012 Farrell DE, Wolverton C. First-principles study of point defects under varied chemical potentials in Li 4BN 3H 10 Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.174102  1
2012 Zhang Y, Skoug E, Cain J, Ozoliņ V, Morelli D, Wolverton C. First-principles description of anomalously low lattice thermal conductivity in thermoelectric Cu-Sb-Se ternary semiconductors Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.054306  1
2012 Do D, Ozolins V, Mahanti SD, Lee MS, Zhang Y, Wolverton C. Physics of bandgap formation in Cu-Sb-Se based novel thermoelectrics: The role of Sb valency and Cu d levels Journal of Physics Condensed Matter. 24. DOI: 10.1088/0953-8984/24/41/415502  1
2012 Chen X, Zhang Y, Wang Y, Zhou W, Knight DA, Yisgedu TB, Huang Z, Lingam HK, Billet B, Udovic TJ, Brown GM, Shore SG, Wolverton C, Zhao JC. Structure determination of an amorphous compound AlB 4H 11 Chemical Science. 3: 3183-3191. DOI: 10.1039/c2sc21100a  1
2012 Thackeray MM, Wolverton C, Isaacs ED. Electrical energy storage for transportation - Approaching the limits of, and going beyond, lithium-ion batteries Energy and Environmental Science. 5: 7854-7863. DOI: 10.1039/c2ee21892e  1
2012 Zhang Y, Autrey T, Wolverton C. First-principles prediction of intermediate products in the decomposition of metal amidoboranes Journal of Physical Chemistry C. 116: 26728-26734. DOI: 10.1021/jp3106293  1
2012 Zhang Y, Wolverton C. Crystal structures, phase stabilities, and hydrogen storage properties of metal amidoboranes Journal of Physical Chemistry C. 116: 14224-14231. DOI: 10.1021/jp303315u  1
2012 Zhang Y, Majzoub E, Ozolinš V, Wolverton C. Theoretical prediction of metastable intermediates in the decomposition of Mg(BH 4) 2 Journal of Physical Chemistry C. 116: 10522-10528. DOI: 10.1021/jp302303z  1
2012 Liu D, Sudik A, Yang J, Ferro P, Wolverton C. Hydrogen storage properties of 3Mg(NH 2) 2-2Li 3AlH 6 Journal of Physical Chemistry C. 116: 1485-1492. DOI: 10.1021/jp208338z  1
2012 Schmidt DJ, Chen W, Wolverton C, Schneider WF. Performance of cluster expansions of coverage-dependent adsorption of atomic oxygen on Pt(111) Journal of Chemical Theory and Computation. 8: 264-273. DOI: 10.1021/ct200659c  1
2012 Saal JE, Wolverton C. Thermodynamic stability of Mg-Y-Zn long-period stacking ordered structures Scripta Materialia. 67: 798-801. DOI: 10.1016/j.scriptamat.2012.07.013  1
2012 Wu C, Schmidt DJ, Wolverton C, Schneider WF. Accurate coverage-dependence incorporated into first-principles kinetic models: Catalytic NO oxidation on Pt (1 1 1) Journal of Catalysis. 286: 88-94. DOI: 10.1016/j.jcat.2011.10.020  1
2012 Saal JE, Wolverton C. Solute-vacancy binding of the rare earths in magnesium from first principles Acta Materialia. 60: 5151-5159. DOI: 10.1016/j.actamat.2012.06.016  1
2012 Shin D, Wolverton C. The effect of native point defect thermodynamics on off-stoichiometry in β-Mg 17Al 12 Acta Materialia. 60: 5135-5142. DOI: 10.1016/j.actamat.2012.06.010  1
2012 Booth-Morrison C, Mao Z, Diaz M, Dunand DC, Wolverton C, Seidman DN. Role of silicon in accelerating the nucleation of Al 3(Sc,Zr) precipitates in dilute Al-Sc-Zr alloys Acta Materialia. 60: 4740-4752. DOI: 10.1016/j.actamat.2012.05.036  1
2012 Evans ND, Caballero F, Wolverton CM, Seidman DN, Banerjee R. Symposium: Approaches for Investigating Phase Transformations at the Atomic Scale Metallurgical and Materials Transactions a: Physical Metallurgy and Materials Science. 43: 3957. DOI: 10.1007/s11661-011-0956-9  1
2011 Bai H, Wolverton C. Gravitropism in lateral roots of Arabidopsis pgm-1 mutants is indistinguishable from that of wild-type Plant Signaling and Behavior. 6: 1423-1424. PMID 21921698 DOI: 10.4161.psb.6.10.16963  0.32
2011 Wolverton C, Paya AM, Toska J. Root cap angle and gravitropic response rate are uncoupled in the Arabidopsis pgm-1 mutant Physiologia Plantarum. 141: 373-382. PMID 21143486 DOI: 10.1111/j.1399-3054.2010.01439.x  0.32
2011 Thompson AE, Wolverton C. First-principles study of noble gas impurities and defects in UO 2 Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.134111  1
2011 Aidhy DS, Zhang Y, Wolverton C. Prediction of a Ca(BH4)(NH2) quaternary hydrogen storage compound from first-principles calculations Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.134103  1
2011 Aidhy DS, Wolverton C. First-principles prediction of phase stability and crystal structures in Li-Zn and Na-Zn mixed-metal borohydrides Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/PhysRevB.83.144111  1
2011 Chen W, Schmidt D, Schneider WF, Wolverton C. First-principles cluster expansion study of missing-row reconstructions of fcc (110) surfaces Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/PhysRevB.83.075415  1
2011 Sun WQ, Wolverton C, Akbarzadeh AR, Ozolins V. First-principles prediction of high-capacity, thermodynamically reversible hydrogen storage reactions based on (NH4)2B 12H12 Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/PhysRevB.83.064112  1
2011 Chen W, Schmidt D, Schneider WF, Wolverton C. Ordering and oxygen adsorption in Au-Pt/Pt(111) surface alloys Journal of Physical Chemistry C. 115: 17915-17924. DOI: 10.1021/jp205995j  1
2011 Biswas A, Siegel DJ, Wolverton C, Seidman DN. Precipitates in Al-Cu alloys revisited: Atom-probe tomographic experiments and first-principles calculations of compositional evolution and interfacial segregation Acta Materialia. 59: 6187-6204. DOI: 10.1016/j.actamat.2011.06.036  1
2011 Counts W, Wolverton C, Gibala R. Binding of multiple H atoms to solute atoms in bcc Fe using first principles Acta Materialia. 59: 5812-5820. DOI: 10.1016/j.actamat.2011.05.058  1
2011 Mao Z, Seidman DN, Wolverton C. First-principles phase stability, magnetic properties and solubility in aluminum-rare-earth (Al-RE) alloys and compounds Acta Materialia. 59: 3659-3666. DOI: 10.1016/j.actamat.2011.02.040  1
2011 Mao Z, Chen W, Seidman DN, Wolverton C. First-principles study of the nucleation and stability of ordered precipitates in ternary Al-Sc-Li alloys Acta Materialia. 59: 3012-3023. DOI: 10.1016/j.actamat.2011.01.041  1
2011 Hansen H, Meredig B, Wolverton C. First-principles study of materials for solar thermochemical gas splitting Acs National Meeting Book of Abstracts 1
2010 Yang J, Sudik A, Wolverton C, Siegel DJ. High capacity hydrogen storage materials: attributes for automotive applications and techniques for materials discovery. Chemical Society Reviews. 39: 656-75. PMID 20111786 DOI: 10.1039/b802882f  1
2010 Meredig B, Thompson A, Hansen HA, Wolverton C, Van De Walle A. Method for locating low-energy solutions within DFT+U Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/PhysRevB.82.195128  1
2010 Zhang Y, Majzoub E, Ozoliņš V, Wolverton C. Theoretical prediction of different decomposition paths for Ca(BH 4)2 and Mg(BH4)2 Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/PhysRevB.82.174107  1
2010 Shin D, Wolverton C. First-principles density functional calculations for Mg alloys: A tool to aid in alloy development Scripta Materialia. 63: 680-685. DOI: 10.1016/j.scriptamat.2009.12.032  1
2010 Zhang H, Wang Y, Shang SL, Ravi C, Wolverton C, Chen LQ, Liu ZK. Solvus boundaries of (meta)stable phases in the Al-Mg-Si system: First-principles phonon calculations and thermodynamic modeling Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 34: 20-25. DOI: 10.1016/j.calphad.2009.10.009  1
2010 Counts WA, Wolverton C, Gibala R. First-principles energetics of hydrogen traps in α-Fe: Point defects Acta Materialia. 58: 4730-4741. DOI: 10.1016/j.actamat.2010.05.010  1
2010 Shin D, Wolverton C. First-principles study of solute-vacancy binding in magnesium Acta Materialia. 58: 531-540. DOI: 10.1016/j.actamat.2009.09.031  1
2010 Thackeray MM, Balasubramanian M, Johnson CS, Kang SH, Pol S, Pol V, Trahey L, Vaughey JT, Shin D, Wolverton C. Advances in the design of anode and cathode materials for lithium batteries 27th International Battery Seminar and Exhibit 2010. 1: 401-403.  1
2009 Weidenthaler C, Pommerin A, Felderhoff M, Sun W, Wolverton C, Bogdanović B, Schüth F. Complex rare-earth aluminum hydrides: mechanochemical preparation, crystal structure and potential for hydrogen storage. Journal of the American Chemical Society. 131: 16735-43. PMID 19886669 DOI: 10.1021/ja9042565  1
2009 Ozolins V, Majzoub EH, Wolverton C. First-principles prediction of thermodynamically reversible hydrogen storage reactions in the Li-Mg-Ca-B-H system. Journal of the American Chemical Society. 131: 230-7. PMID 19072157 DOI: 10.1021/ja8066429  1
2009 Vaughey JT, Thackeray MM, Shin D, Wolverton C. Studies of la Sn3 as a negative electrode for lithium-ion batteries Journal of the Electrochemical Society. 156: A536-A540. DOI: 10.1149/1.3125132  1
2009 Meredig B, Wolverton C. First-principles thermodynamic framework for the evaluation of thermochemical H2 O - Or CO2 -splitting materials Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/PhysRevB.80.245119  1
2009 Farrell DE, Shin D, Wolverton C. First-principles molecular dynamics study of the structure and dynamic behavior of liquid Li4 BN3 H10 Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/PhysRevB.80.224201  1
2009 Akbarzadeh AR, Wolverton C, Ozolins V. First-principles determination of crystal structures, phase stability, and reaction thermodynamics in the Li-Mg-Al-H hydrogen storage system Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/PhysRevB.79.184102  1
2009 Lee YS, Kim Y, Cho YW, Shapiro D, Wolverton C, Ozoliņš V. Crystal structure and phonon instability of high-temperature β-Ca (BH4) 2 Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/PhysRevB.79.104107  1
2009 Ozolins V, Akbarzadeh AR, Gunaydin H, Michel K, Wolverton C, Majzoub H. First-principles computational discovery of materials for hydrogen storage Journal of Physics: Conference Series. 180. DOI: 10.1088/1742-6596/180/1/012076  1
2009 Sudik A, Yang J, Siegel DJ, Wolverton C, Carter RO, Drews AR. Impact of stoichiometry on the hydrogen storage properties of LiNH2-LiBH4-MgH2 ternary composites Journal of Physical Chemistry C. 113: 2004-2013. DOI: 10.1021/jp807270y  1
2009 Mantina M, Wang Y, Chen LQ, Liu ZK, Wolverton C. First principles impurity diffusion coefficients Acta Materialia. 57: 4102-4108. DOI: 10.1016/j.actamat.2009.05.006  1
2008 Wolverton C, Siegel DJ, Akbarzadeh AR, Ozoliņš V. Discovery of novel hydrogen storage materials: an atomic scale computational approach. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 20: 064228. PMID 21693890 DOI: 10.1088/0953-8984/20/6/064228  1
2008 Barabash SV, Ozolins V, Wolverton C. First-principles theory of competing order types, phase separation, and phonon spectra in thermoelectric AgPbmSbTe(m+2) alloys. Physical Review Letters. 101: 155704. PMID 18999614 DOI: 10.1103/PhysRevLett.101.155704  1
2008 Mantina M, Wang Y, Arroyave R, Chen LQ, Liu ZK, Wolverton C. First-principles calculation of self-diffusion coefficients. Physical Review Letters. 100: 215901. PMID 18518620 DOI: 10.1103/PhysRevLett.100.215901  1
2008 Ozolins V, Majzoub EH, Wolverton C. First-principles prediction of a ground state crystal structure of magnesium borohydride. Physical Review Letters. 100: 135501. PMID 18517964 DOI: 10.1103/PhysRevLett.100.135501  1
2008 Yang J, Sudik A, Siegel DJ, Halliday D, Drews A, Carter RO, Wolverton C, Lewis GJ, Sachtler JW, Low JJ, Faheem SA, Lesch DA, Ozolins V. A self-catalyzing hydrogen-storage material. Angewandte Chemie (International Ed. in English). 47: 882-7. PMID 18098263 DOI: 10.1002/anie.200703756  1
2008 Barabash SV, Ozolins V, Wolverton C. First-principles theory of the coherency strain, defect energetics, and solvus boundaries in the PbTe-AgSbTe2 system Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/PhysRevB.78.214109  1
2008 Predith A, Ceder G, Wolverton C, Persson K, Mueller T. Ab initio prediction of ordered ground-state structures in ZrO2 -Y2 O3 Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/PhysRevB.77.144104  1
2008 Sudik A, Yang J, Halliday D, Wolverton C. Hydrogen storage properties in (LiNH2)2-LiBH 4-(MgH2)x mixtures (X = 0.0-1.0) Journal of Physical Chemistry C. 112: 4384-4390. DOI: 10.1021/jp711393k  1
2008 To AC, Liu WK, Olson GB, Belytschko T, Chen W, Shephard MS, Chung YW, Ghanem R, Voorhees PW, Seidman DN, Wolverton C, Chen JS, Moran B, Freeman AJ, Tian R, et al. Materials integrity in microsystems: A framework for a petascale predictive-science-based multiscale modeling and simulation system Computational Mechanics. 42: 485-510. DOI: 10.1007/s00466-008-0267-1  1
2007 Siegel DJ, Wolverton C, Ozoliņš V. Thermodynamic guidelines for the prediction of hydrogen storage reactions and their application to destabilized hydride mixtures Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/PhysRevB.76.134102  1
2007 Wolverton C, Ozoliņš V. Hydrogen storage in calcium alanate: First-principles thermodynamics and crystal structures Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/PhysRevB.75.064101  1
2007 Siegel DJ, Wolverton C, Ozoliņš V. Reaction energetics and crystal structure of Li4 BN3 H10 from first principles Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/PhysRevB.75.014101  1
2007 Yang J, Sudik A, Wolverton C. Destabilizing LiBH4 with a metal (M = Mg, Al, Ti, V, Cr, or Sc) or metal hydride (MH2 = MgH2, TiH2, or CaH 2) Journal of Physical Chemistry C. 111: 19134-19140. DOI: 10.1021/jp076434z  1
2007 Sudik A, Yang J, Halliday D, Wolverton C. Kinetic improvement in the Mg(NH2)2-LiH storage system by product seeding Journal of Physical Chemistry C. 111: 6568-6573. DOI: 10.1021/jp0683465  1
2007 Lewis GJ, Sachtler JWA, Low JJ, Lesch DA, Faheem SA, Dosek PM, Knight LM, Halloran L, Jensen CM, Yang J, Sudik A, Siegel DJ, Wolverton C, Ozolins V, Zhang S. High throughput screening of the ternary LiNH2-MgH2-LiBH4 phase diagram Journal of Alloys and Compounds. 446: 355-359. DOI: 10.1016/j.jallcom.2007.04.028  1
2007 Yang J, Sudik A, Siegel DJ, Halliday D, Drews A, Carter RO, Wolverton C, Lewis GJ, Sachtler JWA, Low JJ, Faheem SA, Lesch DA, Ozolins V. Hydrogen storage properties of 2LiNH2 + LiBH4 + MgH2 Journal of Alloys and Compounds. 446: 345-349. DOI: 10.1016/j.jallcom.2007.03.145  1
2007 Yang J, Sudik A, Wolverton C. Activation of hydrogen storage materials in the Li-Mg-N-H system: Effect on storage properties Journal of Alloys and Compounds. 430: 334-338. DOI: 10.1016/j.jallcom.2006.05.039  1
2007 Wang Y, Liu ZK, Chen LQ, Wolverton C. First-principles calculations of β″-Mg5Si6/α-Al interfaces Acta Materialia. 55: 5934-5947. DOI: 10.1016/j.actamat.2007.06.045  1
2007 Wolverton C. Solute-vacancy binding in aluminum Acta Materialia. 55: 5867-5872. DOI: 10.1016/j.actamat.2007.06.039  1
2007 Akbarzadeh AR, Ozoliņš V, Wolverton C. First-principles determination of multicomponent hydride phase diagrams: Application to the Li-Mg-N-H system Advanced Materials. 19: 3233-3239. DOI: 10.1002/adma.200700843  1
2007 Ozolins V, Akbarzadeh A, Majzoub EH, Siegel D, Wolverton C. First-principles density functional studies of high-performance hydrogen storage materials Acs National Meeting Book of Abstracts 1
2007 Siegel DJ, Wolverton C, Ozolins V. Computational search for dehydrogenation pathways and destabilization schemes in complex metal hydrides Acs National Meeting Book of Abstracts 1
2007 Wolverton C, Sudik A, Yang J, Siegel D. Novel combinations of high density hydrogen storage materials Acs National Meeting Book of Abstracts 1
2006 Ravi C, Wolverton C, Ozoliņš V. Predicting metastable phase boundaries in Al-Cu alloys from first-principles calculations of free energies: The role of atomic vibrations Europhysics Letters. 73: 719-725. DOI: 10.1209/epl/i2005-10462-x  1
2006 Magyari-Köpe B, Ozoliņš V, Wolverton C. Theoretical prediction of low-energy crystal structures and hydrogen storage energetics in Li2 NH Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/PhysRevB.73.220101  1
2006 Wolverton C, Ozoliņš V. First-principles aluminum database: Energetics of binary Al alloys and compounds Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/PhysRevB.73.144104  1
2006 Nicholson DMC, Barabash RI, Ice GE, Sparks CJ, Lee Robertson J, Wolverton C. Relationship between pair and higher-order correlations in solid solutions and other Ising systems Journal of Physics Condensed Matter. 18: 11585-11594. DOI: 10.1088/0953-8984/18/50/013  1
2006 Allison J, Li M, Wolverton C, Su XM. Virtual aluminum castings: An industrial application of ICME Jom. 58: 28-35. DOI: 10.1007/s11837-006-0224-4  1
2006 Wolverton CM. Atomistic and microstructural modeling in aluminum cast alloy applications Tms Annual Meeting. 2006: 379.  1
2005 Mullen JL, Wolverton C, Hangarter RP. Apical control, gravitropic signaling, and the growth of lateral roots in Arabidopsis Advances in Space Research. 36: 1211-1217. DOI: 10.1016/j.asr.2005.03.103  0.32
2005 Wang J, Wolverton C, Müller S, Liu ZK, Chen LQ. First-principles growth kinetics and morphological evolution of Cu nanoscale particles in Al Acta Materialia. 53: 2759-2764. DOI: 10.1016/j.actamat.2005.02.035  1
2005 Liu ZK, Chen LQ, Raghavan P, Du Q, Sofo JO, Langer SA, Wolverton C. An integrated framework for multi-scale materials simulation and design Journal of Computer-Aided Materials Design. 11: 183-199. DOI: 10.1007/s10820-005-3173-2  1
2005 Li M, Zindel JW, Godlewski LA, Olukalns AE, Wolverton C, Allison JE. Simulation of microstructures and yield strength of a high pressure die cast A383 aluminum alloy component Tms Light Metals. 1077-1081.  1
2005 Ravi C, Wolverton C. Comparison of thermodynamic databases for 3xx and 6xxx aluminum alloys Metallurgical and Materials Transactions a: Physical Metallurgy and Materials Science. 36: 2013-2023.  1
2005 Ozturk K, Zhong Y, Chen LQ, Wolverton C, Sofo JO, Liu ZK. Linking first-principles energetics to CALPHAD: An application to thermodynamic modeling of the Al-Ca binary system Metallurgical and Materials Transactions a: Physical Metallurgy and Materials Science. 36: 5-13.  1
2004 Jiang C, Wolverton C, Sofo J, Chen LQ, Liu ZK. First-principles study of binary bcc alloys using special quasirandom structures Physical Review B - Condensed Matter and Materials Physics. 69: 214202-1-214202-10. DOI: 10.1103/PhysRevB.69.214202  1
2004 Wolverton C, Ozoliņš V, Asta M. Hydrogen in aluminum: First-principles calculations of structure and thermodynamics Physical Review B - Condensed Matter and Materials Physics. 69: 144109-1-144109-16. DOI: 10.1103/PhysRevB.69.144109  1
2004 Slane JA, Wolverton C, Gibala R. Carbon-vacancy interactions in austenitic alloys Materials Science and Engineering A. 370: 67-72. DOI: 10.1016/j.msea.2003.08.073  1
2004 Ravi C, Wolverton C. First-principles study of crystal structure and stability of Al-Mg-Si-(Cu) precipitates Acta Materialia. 52: 4213-4227. DOI: 10.1016/j.actamat.2004.05.037  1
2004 Vaithyanathan V, Wolverton C, Chen LQ. Multiscale modeling of θ′ precipitation in Al-Cu binary alloys Acta Materialia. 52: 2973-2987. DOI: 10.1016/j.actamat.2004.03.001  1
2004 Zhong Y, Wolverton C, Chang YA, Liu ZK. A combined CALPHAD/first-principles remodeling of the thermodynamics of Al-Sr: Unsuspected ground state energies by "rounding up the (un)usual suspects" Acta Materialia. 52: 2739-2754. DOI: 10.1016/j.actamat.2004.02.022  1
2004 Slane JA, Wolverton C, Gibala R. Experimental and theoretical evidence for carbon-vacancy binding in austenite Metallurgical and Materials Transactions a: Physical Metallurgy and Materials Science. 35: 2239-2245.  1
2004 Weakley-Bollin SC, Donlon W, Wolverton C, Jones JW, Allison JE. Modeling the age-hardening behavior of Al-Si-Cu alloys Metallurgical and Materials Transactions a: Physical Metallurgy and Materials Science. 35: 2407-2418.  1
2004 Vaithyanathan V, Wolverton C, Chen LQ. Modeling precipitate microstructure evolution in alloys with first-principles energetic information Materials Science Forum. 449: 19-24.  1
2003 Ottenschläger I, Wolff P, Wolverton C, Bhalerao RP, Sandberg G, Ishikawa H, Evans M, Palme K. Gravity-regulated differential auxin transport from columella to lateral root cap cells. Proceedings of the National Academy of Sciences of the United States of America. 100: 2987-91. PMID 12594336 DOI: 10.1073/pnas.0437936100  0.32
2003 Boileau JM, Cloutier CA, Godlewski LA, Reeber-Symanski PA, Wolverton C, Allison JE. The dimensional stability of cast 319 aluminum Sae Technical Papers. DOI: 10.4271/2003-01-0822  1
2003 Chen LQ, Hu SY, Vaithyanathan V, Jiang C, Wang JW, Liu ZK, Wolverton C, Murray JL, Weiland H, Müller S. Computer modeling of phase transformations in Al-alloys Metallurgical Modeling For Aluminum Alloys - Proceedings From Materials Solutions Conference 2003: 1st International Symposium On Metallurgical Modeling For Aluminum Alloys. 133-136.  1
2003 Li M, Vijayaraghavan R, Wolverton C, Allison JE. Simulation of local microstructures and thermal growth of a cast 319 aluminum alloy component Metallurgical Modeling For Aluminum Alloys - Proceedings From Materials Solutions Conference 2003: 1st International Symposium On Metallurgical Modeling For Aluminum Alloys. 79-86.  1
2003 Bogicevic A, Wolverton C. Nature and strength of defect interactions in cubic stabilized zirconia Physical Review B - Condensed Matter and Materials Physics. 67: 241061-2410613.  1
2002 Mullen JL, Wolverton C, Ishikawa H, Hangarter RP, Evans ML. Spatial separation of light perception and growth response in maize root phototropism. Plant, Cell & Environment. 25: 1191-6. PMID 12361060 DOI: 10.1046/j.1365-3040.2002.00899.x  0.32
2002 Wolverton C, Ishikawa H, Evans ML. The kinetics of root gravitropism: dual motors and sensors. Journal of Plant Growth Regulation. 21: 102-12. PMID 12024226 DOI: 10.1007/s003440010053  0.32
2002 Wolverton C, Mullen JL, Ishikawa H, Evans ML. Root gravitropism in response to a signal originating outside of the cap. Planta. 215: 153-7. PMID 12012252 DOI: 10.1007/s00425-001-0726-9  0.32
2002 Vaithyanathan V, Wolverton C, Chen LQ. Multiscale modeling of precipitate microstructure evolution. Physical Review Letters. 88: 125503. PMID 11909473 DOI: 10.1103/PhysRevLett.88.125503  1
2002 Wolverton C, Yan XY, Vijayaraghavan R, Ozoli V. Incorporating first-principles energetics in computational thermodynamics approaches Acta Materialia. 50: 2187-2197. DOI: 10.1016/S1359-6454(01)00430-X  1
2001 Wolverton C, Ololiņs V. Entropically favored ordering: the metallurgy of Al(2)Cu revisited. Physical Review Letters. 86: 5518-21. PMID 11415290 DOI: 10.1103/PhysRevLett.86.5518  1
2001 Müller S, Wolverton C, Wang LW, Zunger A. Prediction of alloy precipitate shapes from first principles Europhysics Letters. 55: 33-39. DOI: 10.1209/epl/i2001-00377-0  1
2001 Bogicevic A, Wolverton C. Elastic reversal of electrostatically driven defect ordering in stabilized zirconia Europhysics Letters. 56: 393-399. DOI: 10.1209/epl/i2001-00365-x  1
2001 Wolverton C. Crystal structure and stability of complex precipitate phases in Al-Cu-Mg-(Si) and Al-Zn-Mg alloys Acta Materialia. 49: 3129-3142. DOI: 10.1016/S1359-6454(01)00229-4  1
2001 Bogicevic A, Wolverton C, Crosbie GM, Stechel EB. Defect ordering in aliovalently doped cubic zirconia from first principles Physical Review B - Condensed Matter and Materials Physics. 64: 141061-1410614.  1
2001 Chen LQ, Wolverton C, Vaithyanathan V, Liu ZK. Modeling solid-state phase transformations and microstructure evolution Mrs Bulletin. 26: 197-202.  1
2001 Wolverton C, Hass KC. Phase stability and structure of spinel-based transition aluminas Physical Review B - Condensed Matter and Materials Physics. 63: 241021-2410216.  1
1996 Wolverton C, Zunger A, Froyen S, Wei S. Point-charge electrostatics in disordered alloys. Physical Review. B, Condensed Matter. 54: 7843-7856. PMID 9984459  0.32
1995 Wolverton C, Zunger A. Ising-like description of structurally relaxed ordered and disordered alloys. Physical Review Letters. 75: 3162-3165. PMID 10059510 DOI: 10.1103/PhysRevLett.75.3162  0.32
1995 Wolverton C, Zunger A. First-principles theory of short-range order, electronic excitations, and spin polarization in Ni-V and Pd-V alloys. Physical Review. B, Condensed Matter. 52: 8813-8828. PMID 9979872  0.32
1995 McCormack R, de Fontaine D, Wolverton C, Ceder G. Nonempirical phase equilibria in the W-Mo-Cr system. Physical Review. B, Condensed Matter. 51: 15808-15822. PMID 9978557  0.84
1995 Wolverton C, Zunger A. Short- and long-range order of the binary Madelung lattice. Physical Review. B, Condensed Matter. 51: 6876-6891. PMID 9977241  0.32
1995 Ramsay TG, White ME, Wolverton CK. The onset of maternal diabetes in swine induces alterations in the development of the fetal preadipocyte. Journal of Animal Science. 73: 69-76. PMID 7601756  0.32
1994 Wolverton C, Zunger A, Lu Z. Long- versus short-range order in Ni3V and Pd3V alloys. Physical Review. B, Condensed Matter. 49: 16058-16061. PMID 10010749  0.48
1994 Wolverton C, de Fontaine D. Site substitution of ternary additions to Ni3Al ( gamma ') from electronic-structure calculations. Physical Review. B, Condensed Matter. 49: 12351-12354. PMID 10010129  0.84
1994 Wolverton C, de Fontaine D. Cluster expansions of alloy energetics in ternary intermetallics. Physical Review. B, Condensed Matter. 49: 8627-8642. PMID 10009642  0.84
1994 Wolverton C, Zunger A. Comparison of two cluster-expansion methods for the energetics of Pd-V alloys. Physical Review. B, Condensed Matter. 50: 10548-10560. PMID 9975152  0.32
1993 Wolverton C, de Fontaine D, Dreyssé H. Global volume relaxations and phase stability in disordered Pd-Rh alloys. Physical Review. B, Condensed Matter. 48: 5766-5778. PMID 10009109  0.84
1993 Wolverton C, Ceder G, de Fontaine D, Dreyssé H. Ab initio determination of structural stability in fcc-based transition-metal alloys. Physical Review. B, Condensed Matter. 48: 726-747. PMID 10007929  0.84
1992 Wolverton C, Ceder G, de Fontaine D, Dreyssé H. Ab initio ground-state study with fourth-nearest-neighbor cluster interactions for fcc Pd-V alloys. Physical Review. B, Condensed Matter. 45: 13105-13108. PMID 10001385  0.84
1992 Wolverton CK, Azain MJ, Duffy JY, White ME, Ramsay TG. Influence of somatotropin on lipid metabolism and IGF gene expression in porcine adipose tissue. The American Journal of Physiology. 263: E637-45. PMID 1415683  0.32
1991 Wolverton C, Asta M, Dreyssé H, de Fontaine D. Effective cluster interactions from cluster-variation formalism. II. Physical Review. B, Condensed Matter. 44: 4914-4924. PMID 9998298  0.84
1991 Asta M, Wolverton C, de Fontaine D, Dreyssé H. Effective cluster interactions from cluster-variation formalism. I. Physical Review. B, Condensed Matter. 44: 4907-4913. PMID 9998297  0.84
1991 Ruwe PJ, Wolverton CK, White ME, Ramsay TG. Effect of maternal fasting on fetal and placental lipid metabolism in swine. Journal of Animal Science. 69: 1935-44. PMID 2066303  0.32
1991 Ramsay TG, Karousis J, White ME, Wolverton CK. Fatty acid metabolism by the porcine placenta. Journal of Animal Science. 69: 3645-54. PMID 1938647  0.32
1990 Olivieri W, Wolverton CK, Ruwe PJ, White ME, Ramsay TG. Comparison of the effects of dietary glucose versus galactose on porcine feto-placental glucose metabolism. The Journal of Nutrition. 120: 1241-7. PMID 2213252  0.32
1989 Ramsay TG, White ME, Wolverton CK. Insulin-like growth factor 1 induction of differentiation of porcine preadipocytes. Journal of Animal Science. 67: 2452-9. PMID 2599985  0.32
1989 Ramsay TG, White ME, Wolverton CK. Glucocorticoids and the differentiation of porcine preadipocytes. Journal of Animal Science. 67: 2222-9. PMID 2599972  0.32
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