Sfoglia per Autore
Reproducibility in density functional theory calculations of solids
2016 Lejaeghere, K.; Bihlmayer, G.; Bjorkman, T.; Blaha, P.; Blugel, S.; Blum, V.; Caliste, D.; Castelli, I. E.; Clark, S. J.; Dal Corso, A.; De Gironcoli, S.; Deutsch, T.; Dewhurst, J. K.; Di Marco, I.; Draxl, C.; Dulak, M.; Eriksson, O.; Flores-Livas, J. A.; Garrity, K. F.; Genovese, L.; Giannozzi, P.; Giantomassi, M.; Goedecker, S.; Gonze, X.; Granas, O.; Gross, E. K. U.; Gulans, A.; Gygi, F.; Hamann, D. R.; Hasnip, P. J.; Holzwarth, N. A. W.; Iusan, D.; Jochym, D. B.; Jollet, F.; Jones, D.; Kresse, G.; Koepernik, K.; Kucukbenli, E.; Kvashnin, Y. O.; Locht, I. L. M.; Lubeck, S.; Marsman, M.; Marzari, N.; Nitzsche, U.; Nordstrom, L.; Ozaki, T.; Paulatto, L.; Pickard, C. J.; Poelmans, W.; Probert, M. I. J.; Refson, K.; Richter, M.; Rignanese, G. -M.; Saha, S.; Scheffler, M.; Schlipf, M.; Schwarz, K.; Sharma, S.; Tavazza, F.; Thunstrom, P.; Tkatchenko, A.; Torrent, M.; Vanderbilt, D.; Van Setten, M. J.; Van Speybroeck, V.; Wills, J. M.; Yates, J. R.; Zhang, G. -X.; Cottenier, S.
Superconductivity in metastable phases of phosphorus-hydride compounds under high pressure
2016 Flores Livas, José A.; Amsler, Maximilian; Heil, Christoph; Sanna, Antonio; Boeri, Lilia; Profeta, Gianni; Wolverton, Chris; Goedecker, Stefan; Gross, E. K. U.
High temperature superconductivity in sulfur and selenium hydrides at high pressure
2016 Flores-Livas, J. A.; Sanna, A.; Gross, E. K. U.
The elephant in the room of density functional theory calculations
2017 Jensen, S. R.; Saha, S.; Flores-Livas, J. A.; Huhn, W.; Blum, V.; Goedecker, S.; Frediani, L.
Interplay between structure and superconductivity: metastable phases of phosphorus under pressure
2017 Flores-Livas, José A.; Sanna, Antonio; Drozdov, Alexander P.; Boeri, Lilia; Profeta, Gianni; Eremets, Mikhail; Goedecker, Stefan
Superconductivity in doped polyethylene at high pressure
2018 Flores-Livas, José A.; Graužinytė, Miglė; Boeri, Lilia; Profeta, Gianni; Sanna, Antonio
Pressure-Tuneable Visible-Range Band Gap in the Ionic Spinel Tin Nitride
2018 Kearney, J. S. C.; Grauzinyte, M.; Smith, D.; Sneed, D.; Childs, C.; Hinton, J.; Park, C.; Smith, J. S.; Kim, E.; Fitch, S. D. S.; Hector, A. L.; Pickard, C. J.; Flores-Livas, J. A.; Salamat, A.
Emergence of hidden phases of methylammonium lead iodide (CH3NH3PbI3) upon compression
2018 Flores-Livas, J. A.; Tomerini, D.; Amsler, M.; Boziki, A.; Rothlisberger, U.; Goedecker, S.
Quantum Crystal Structure in the 250 K Superconducting Lanthanum Hydride
2019 Ion, Errea; Belli, Francesco; Monacelli, Lorenzo; Antonio, Sanna; Takashi, Koretsune; Terumasa, Tadano; Bianco, Raffaello; Matteo, Calandra; Ryotaro, Arita; Mauri, Francesco; FLORES LIVAS, JOSE' ABDENAGO
Computational acceleration of prospective dopant discovery in cuprous iodide
2019 Grauzinyte, M.; Botti, S.; Marques, M. A. L.; Goedecker, S.; Flores-Livas, J. A.
Divalent Path to Enhance p-Type Conductivity in a SnO Transparent Semiconductor
2019 Grauzinyte, M.; Tomerini, D.; Goedecker, S.; Flores-Livas, J. A.
Rare-earth magnetic nitride perovskites
2019 Flores-Livas, Ja; Sarmiento-Perez, R; Botti, S; Goedecker, S; Marques, Mal
A perspective on conventional high-temperature superconductors at high pressure: methods and materials
2020 Flores-Livas, José A.; Boeri, Lilia; Sanna, Antonio; Profeta, Gianni; Arita, Ryotaro; Eremets, Mikhail
Crystal structure prediction of magnetic materials
2020 Flores-Livas, J. A.
High-pressure synthesis of Ba2RhO4, a rhodate analog of the layered perovskite Sr-ruthenate
2021 Kurata, I.; Flores-Livas, J. A.; Sugimoto, H.; Takahashi, H.; Sagayama, H.; Yamasaki, Y.; Nomoto, T.; Arita, R.; Ishiwata, S.
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Reproducibility in density functional theory calculations of solids | 2016 | Lejaeghere, K.; Bihlmayer, G.; Bjorkman, T.; Blaha, P.; Blugel, S.; Blum, V.; Caliste, D.; Castelli, I. E.; Clark, S. J.; Dal Corso, A.; De Gironcoli, S.; Deutsch, T.; Dewhurst, J. K.; Di Marco, I.; Draxl, C.; Dulak, M.; Eriksson, O.; Flores-Livas, J. A.; Garrity, K. F.; Genovese, L.; Giannozzi, P.; Giantomassi, M.; Goedecker, S.; Gonze, X.; Granas, O.; Gross, E. K. U.; Gulans, A.; Gygi, F.; Hamann, D. R.; Hasnip, P. J.; Holzwarth, N. A. W.; Iusan, D.; Jochym, D. B.; Jollet, F.; Jones, D.; Kresse, G.; Koepernik, K.; Kucukbenli, E.; Kvashnin, Y. O.; Locht, I. L. M.; Lubeck, S.; Marsman, M.; Marzari, N.; Nitzsche, U.; Nordstrom, L.; Ozaki, T.; Paulatto, L.; Pickard, C. J.; Poelmans, W.; Probert, M. I. J.; Refson, K.; Richter, M.; Rignanese, G. -M.; Saha, S.; Scheffler, M.; Schlipf, M.; Schwarz, K.; Sharma, S.; Tavazza, F.; Thunstrom, P.; Tkatchenko, A.; Torrent, M.; Vanderbilt, D.; Van Setten, M. J.; Van Speybroeck, V.; Wills, J. M.; Yates, J. R.; Zhang, G. -X.; Cottenier, S. | |
| Superconductivity in metastable phases of phosphorus-hydride compounds under high pressure | 2016 | Flores Livas, José A.; Amsler, Maximilian; Heil, Christoph; Sanna, Antonio; Boeri, Lilia; Profeta, Gianni; Wolverton, Chris; Goedecker, Stefan; Gross, E. K. U. | |
| High temperature superconductivity in sulfur and selenium hydrides at high pressure | 2016 | Flores-Livas, J. A.; Sanna, A.; Gross, E. K. U. | |
| The elephant in the room of density functional theory calculations | 2017 | Jensen, S. R.; Saha, S.; Flores-Livas, J. A.; Huhn, W.; Blum, V.; Goedecker, S.; Frediani, L. | |
| Interplay between structure and superconductivity: metastable phases of phosphorus under pressure | 2017 | Flores-Livas, José A.; Sanna, Antonio; Drozdov, Alexander P.; Boeri, Lilia; Profeta, Gianni; Eremets, Mikhail; Goedecker, Stefan | |
| Superconductivity in doped polyethylene at high pressure | 2018 | Flores-Livas, José A.; Graužinytė, Miglė; Boeri, Lilia; Profeta, Gianni; Sanna, Antonio | |
| Pressure-Tuneable Visible-Range Band Gap in the Ionic Spinel Tin Nitride | 2018 | Kearney, J. S. C.; Grauzinyte, M.; Smith, D.; Sneed, D.; Childs, C.; Hinton, J.; Park, C.; Smith, J. S.; Kim, E.; Fitch, S. D. S.; Hector, A. L.; Pickard, C. J.; Flores-Livas, J. A.; Salamat, A. | |
| Emergence of hidden phases of methylammonium lead iodide (CH3NH3PbI3) upon compression | 2018 | Flores-Livas, J. A.; Tomerini, D.; Amsler, M.; Boziki, A.; Rothlisberger, U.; Goedecker, S. | |
| Quantum Crystal Structure in the 250 K Superconducting Lanthanum Hydride | 2019 | Ion, Errea; Belli, Francesco; Monacelli, Lorenzo; Antonio, Sanna; Takashi, Koretsune; Terumasa, Tadano; Bianco, Raffaello; Matteo, Calandra; Ryotaro, Arita; Mauri, Francesco; FLORES LIVAS, JOSE' ABDENAGO | |
| Computational acceleration of prospective dopant discovery in cuprous iodide | 2019 | Grauzinyte, M.; Botti, S.; Marques, M. A. L.; Goedecker, S.; Flores-Livas, J. A. | |
| Divalent Path to Enhance p-Type Conductivity in a SnO Transparent Semiconductor | 2019 | Grauzinyte, M.; Tomerini, D.; Goedecker, S.; Flores-Livas, J. A. | |
| Rare-earth magnetic nitride perovskites | 2019 | Flores-Livas, Ja; Sarmiento-Perez, R; Botti, S; Goedecker, S; Marques, Mal | |
| A perspective on conventional high-temperature superconductors at high pressure: methods and materials | 2020 | Flores-Livas, José A.; Boeri, Lilia; Sanna, Antonio; Profeta, Gianni; Arita, Ryotaro; Eremets, Mikhail | |
| Crystal structure prediction of magnetic materials | 2020 | Flores-Livas, J. A. | |
| High-pressure synthesis of Ba2RhO4, a rhodate analog of the layered perovskite Sr-ruthenate | 2021 | Kurata, I.; Flores-Livas, J. A.; Sugimoto, H.; Takahashi, H.; Sagayama, H.; Yamasaki, Y.; Nomoto, T.; Arita, R.; Ishiwata, S. |
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