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 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 A2 BO4 Spinel Oxides V Stevanovic, M d’Avezac, A Zunger
Journal of the American Chemical Society 133 (30), 11649-11654, 2011
93 2011 Li‐Doped Cr2 MnO4 : 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 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 Co 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 InstituteEmail verificata su colorado.edu