| Band-structure, optical properties, and defect physics of the photovoltaic semiconductor SnS J Vidal, S Lany, M d’Avezac, A Zunger, A Zakutayev, J Francis, J Tate Applied Physics Letters 100 (3), 2012 | 487 | 2012 |
| Doping rules and doping prototypes in A2BO4 spinel oxides TR Paudel, A Zakutayev, S Lany, M d'Avezac, A Zunger Advanced Functional Materials 21 (23), 4493-4501, 2011 | 218 | 2011 |
| Parallel kinetic Monte Carlo simulation framework incorporating accurate models of adsorbate lateral interactions J Nielsen, M d’Avezac, J Hetherington, M Stamatakis The Journal of chemical physics 139 (22), 2013 | 179 | 2013 |
| Genetic-Algorithm Discovery of a Direct-Gap and Optically Allowed Superstructure<? format?> from Indirect-Gap Si and Ge Semiconductors M d’Avezac, JW Luo, T Chanier, A Zunger Physical review letters 108 (2), 027401, 2012 | 146 | 2012 |
| Density functional theory description of hole-trapping in : A self-interaction-corrected approach M d’Avezac, M Calandra, F Mauri Physical Review B—Condensed Matter and Materials Physics 71 (20), 205210, 2005 | 105 | 2005 |
| Magnetic response and NMR spectra of carbon nanotubes from ab initio calculations MAL Marques, M d’Avezac, F Mauri Physical Review B—Condensed Matter and Materials Physics 73 (12), 125433, 2006 | 94 | 2006 |
| Universal Electrostatic Origin of Cation Ordering in A2BO4 Spinel Oxides V Stevanovic, M d’Avezac, A Zunger Journal of the American Chemical Society 133 (30), 11649-11654, 2011 | 93 | 2011 |
| Li‐Doped Cr2MnO4: A New p‐Type Transparent Conducting Oxide by Computational Materials Design H Peng, A Zakutayev, S Lany, TR Paudel, M d'Avezac, PF Ndione, ... Advanced Functional Materials 23 (42), 5267-5276, 2013 | 76 | 2013 |
| Prediction of metal-chalcogenide compounds via first-principles thermodynamics X Zhang, V Stevanović, M d’Avezac, S Lany, A Zunger Physical Review B—Condensed Matter and Materials Physics 86 (1), 014109, 2012 | 68 | 2012 |
| Genomic design of strong direct-gap optical transition in Si/Ge core/multishell nanowires L Zhang, M d’Avezac, JW Luo, A Zunger Nano letters 12 (2), 984-991, 2012 | 66 | 2012 |
| Spin and orbital magnetic response in metals: susceptibility and NMR shifts M d’Avezac, N Marzari, F Mauri Physical Review B—Condensed Matter and Materials Physics 76 (16), 165122, 2007 | 66 | 2007 |
| Robust sparse image reconstruction of radio interferometric observations with purify L Pratley, JD McEwen, M d'Avezac, RE Carrillo, A Onose, Y Wiaux Monthly Notices of the Royal Astronomical Society 473 (1), 1038-1058, 2018 | 63 | 2018 |
| Simple point-ion electrostatic model explains the cation distribution in spinel oxides V Stevanović, M d’Avezac, A Zunger Physical review letters 105 (7), 075501, 2010 | 62 | 2010 |
| Abnormal morphology biases hematocrit distribution in tumor vasculature and contributes to heterogeneity in tissue oxygenation MO Bernabeu, J Köry, JA Grogan, B Markelc, A Beardo, M d’Avezac, ... Proceedings of the National Academy of Sciences 117 (45), 27811-27819, 2020 | 52 | 2020 |
| Identifying the minimum-energy atomic configuration on a lattice: Lamarckian twist on Darwinian evolution M d’Avezac, A Zunger Physical Review B—Condensed Matter and Materials Physics 78 (6), 064102, 2008 | 46 | 2008 |
| Asymmetric cation nonstoichiometry in spinels: Site occupancy in CoZnO and RhZnO TR Paudel, S Lany, M d’Avezac, A Zunger, NH Perry, AR Nagaraja, ... Physical Review B—Condensed Matter and Materials Physics 84 (6), 064109, 2011 | 40 | 2011 |
| Efficient generalized spherical CNNs OJ Cobb, CGR Wallis, AN Mavor-Parker, A Marignier, MA Price, ... arXiv preprint arXiv:2010.11661, 2020 | 39 | 2020 |
| Chemical Descriptors of Yttria-Stabilized Zirconia at Low Defect Concentration: An ab Initio Study MA Parkes, K Refson, M d’Avezac, GJ Offer, NP Brandon, NM Harrison The Journal of Physical Chemistry A 119 (24), 6412-6420, 2015 | 25 | 2015 |
| Finding the atomic configuration with a required physical property in multi-atom structures M d’Avezac, A Zunger Journal of Physics: Condensed Matter 19 (40), 402201, 2007 | 22 | 2007 |
| The atomistic structure of yttria stabilised zirconia at 6.7 mol%: an ab initio study MA Parkes, DA Tompsett, M d'Avezac, GJ Offer, NP Brandon, ... Physical Chemistry Chemical Physics 18 (45), 31277-31285, 2016 | 18 | 2016 |
Alex ZungerUniversity of Colorado ,Boulder,Colorado.Renewable and Sustainable Energy InstituteVerified email at colorado.edu