The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table von van Setten, M.J., Giantomassi, M., Bousquet, E., Verstraete, M.J., Hamann, D.R., Gonze, X., Rignanese, G.-M.

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Accuracy of generalized gradient approximation functionals for density-functional perturbation theory calculations von He, Lianhua, Liu, Fang, Hautier, Geoffroy, Oliveira, Micael J. T., Marques, Miguel A. L., Vila, Fernando D., Rehr, J. J., Rignanese, G.-M., Zhou, Aihui

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Band structure of gold from many-body perturbation theory von Rangel, T., Kecik, D., Trevisanutto, P. E., Rignanese, G.-M., Van Swygenhoven, H., Olevano, V.

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Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides von Bilc, D. I., Orlando, R., Shaltaf, R., Rignanese, G.-M., Íñiguez, Jorge, Ghosez, Ph

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Combination of ab initio descriptors and machine learning approach for the prediction of the plasticity mechanisms in β-metastable Ti alloys von Coffigniez, M., De Breuck, P.-P., Choisez, L., Marteleur, M., van Setten, M.J., Petretto, G., Rignanese, G.-M., Jacques, P.J.

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ABINIT: First-principles approach to material and nanosystem properties von Gonze, X., Amadon, B., Anglade, P.-M., Beuken, J.-M., Bottin, F., Boulanger, P., Bruneval, F., Caliste, D., Caracas, R., Côté, M., Deutsch, T., Genovese, L., Ghosez, Ph, Giantomassi, M., Goedecker, S., Hamann, D.R., Hermet, P., Jollet, F., Jomard, G., Leroux, S., Mancini, M., Mazevet, S., Oliveira, M.J.T., Onida, G., Pouillon, Y., Rangel, T., Rignanese, G.-M., Sangalli, D., Shaltaf, R., Torrent, M., Verstraete, M.J., Zerah, G., Zwanziger, J.W.

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Electronic properties of interfaces and defects from many-body perturbation theory: Recent developments and applications von Giantomassi, M., Stankovski, M., Shaltaf, R., Grüning, M., Bruneval, F., Rinke, P., Rignanese, G.-M.

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Physical pain-suicidality association in all ages: a complete and updated meta-analysis von Rignanese, M., Salmè, E., De Filippi, M., Madeddu, F., De Prisco, M., Fornaro, M., Calati, R.

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Physical pain – suicidality association in adults: A meta-analysis von Rignanese, M., De Filippi, M., Salmè, E., Madeddu, F., Calati, R.

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The relationship between physical pain and suicidal thoughts and behaviors in adolescents: A meta-analysis von De Filippi, M., Rignanese, M., Salmè, E., Madeddu, F., Calati, R.

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First-principles computation of material properties: the ABINIT software project von Gonze, X., Beuken, J.-M., Caracas, R., Detraux, F., Fuchs, M., Rignanese, G.-M., Sindic, L., Verstraete, M., Zerah, G., Jollet, F., Torrent, M., Roy, A., Mikami, M., Ghosez, Ph, Raty, J.-Y., Allan, D.C.

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Room temperature peierls distortion in small diameter nanotubes von Connétable, D, Rignanese, G-M, Charlier, J-C, Blase, X

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Automation methodologies and large-scale validation for GW: Towards high-throughput GW calculations von van Setten, M J, Giantomassi, M, Gonze, X, Rignanese, G-M, Hautier, G

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Dielectric properties of crystalline and amorphous transition metal oxides and silicates as potential high-κ candidates: the contribution of density-functional theory von Rignanese, G-M

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Resonant Bonding, Multiband Thermoelectric Transport, and Native Defects in n-Type BaBiTe3-xSex (x=0, 0.05, and 0.1) von Maier, S., Ohno, S., Yu, G., Kang, S. D., Chasapis, T. C., Ha, V. A., Miller, S. A., Berthebaud, David, Kanatzidis, M. G., Rignanese, G. -M., Hautier, G., Snyder, G. J., Gascoin, F.

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Computed electronic and optical properties of SnO2 under compressive stress von Miglio, A., Saniz, R., Waroquiers, D., Stankovski, M., Giantomassi, M., Hautier, G., Rignanese, G.-M., Gonze, X.

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Charge and spin transport in single and packed ruthenium-terpyridine molecular devices: Insight from first-principles calculations von Morari, C., Buimaga-Iarinca, L., Rungger, I., Sanvito, S., Melinte, S., Rignanese, G.-M.

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First-principles investigation of CZTS Raman spectra von Ramkumar, S. P., Petretto, G., Chen, W., Miranda, H. P. C., Gonze, X., Rignanese, G.-M.

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Electronic and optical properties of hexathiapentacene in the gas and crystal phases von Cardia, R., Malloci, G., Rignanese, G.-M., Blase, X., Molteni, E., Cappellini, G.

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First-principles investigation of high-κ dielectrics: Comparison between the silicates and oxides of hafnium and zirconium von RIGNANESE, G.-M, GONZE, X, GYUCHANG JUN, CHO, Kveongjae, PASQUARELLO, Alfredo

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