未登录.png)
分享.png)
收藏分享 收藏 分享 收藏 How to verify the precision of density-functional-theory implementations via reproducible and universal workflows如何通过可重复和通用的工作流程验证密度泛函理论实现的精度
Bosoni, Emanuele; Beal, Louis; Bercx, Marnik; Blaha, Peter; Bluegel, Stefan; Broeder, Jens; Callsen, Martin; Cottenier, Stefaan; Degomme, Augustin; Dikan, Vladimir; Eimre, Kristjan; Flage-Larsen, Espen; Fornari, Marco; Garcia, Alberto; Genovese, Luigi; Giantomassi, Matteo; Huber, Sebastiaan P.; Janssen, Henning; Kastlunger, Georg; Krack, Matthias; Kresse, Georg; Kuehne, Thomas D.; Lejaeghere, Kurt; Madsen, Georg K. H.; Marsman, Martijn; Marzari, Nicola; Michalicek, Gregor; Mirhosseini, Hossein; Mueller, Tiziano M. A.; Petretto, Guido; Pickard, Chris J.; Ponce, Samuel; Rignanese, Gian-Marco; Rubel, Oleg; Ruh, Thomas; Sluydts, Michael; Vanpoucke, Danny E. P.; Vijay, Sudarshan; Wolloch, Michael; Wortmann, Daniel; Yakutovich, Aliaksandr V.; Yu, Jusong; Zadoks, Austin; Zhu, Bonan; Pizzi, Giovanni 分享 收藏 分享 收藏 Common workflows for computing material properties using different quantum engines使用不同的量子引擎计算材料属性的通用工作流程Huber, Sebastiaan P.; Bosoni, Emanuele; Bercx, Marnik; Broder, Jens; Degomme, Augustin; Dikan, Vladimir; Eimre, Kristjan; Flage-Larsen, Espen; Garcia, Alberto; Genovese, Luigi; Gresch, Dominik; Johnston, Conrad; Petretto, Guido; Ponce, Samuel; Rignanese, Gian-Marco; Sewell, Christopher J.; Smit, Berend; Tseplyaev, Vasily; Uhrin, Martin; Wortmann, Daniel; Yakutovich, Aliaksandr, V; Zadoks, Austin; Zarabadi-Poor, Pezhman; Zhu, Bonan; Marzari, Nicola; Pizzi, Giovanni 分享 收藏 ELSI - An open infrastructure for electronic structure solversELSI-电子结构求解器的开放式基础设施Yu, Victor Wen-zhe; Campos, Carmen; Dawson, William; Garcia, Alberto; Havu, Ville; Hourahine, Ben; Huhn, William P.; Jacquelin, Mathias; Jia, Weile; Keceli, Murat; Laasner, Raul; Li, Yingzhou; Lin, Lin; Lu, Jianfeng; Moussa, Jonathan; Roman, Jose E.; Vazquez-Mayagoitia, Alvaro; Yang, Chao; Blum, Volker 分享 收藏 The CECAM electronic structure library and the modular software development paradigmCECAM电子结构库与模块化软件开发范式Oliveira, Micael J. T.; Papior, Nick; Pouillon, Yann; Blum, Volker; Artacho, Emilio; Caliste, Damien; Corsetti, Fabiano; de Gironcoli, Stefano; Elena, Alin M.; Garcia, Alberto; Garcia-Suarez, Victor M.; Genovese, Luigi; Huhn, William P.; Huhs, Georg; Kokott, Sebastian; Kucukbenli, Emine; Larsen, Ask H.; Lazzaro, Alfio; Lebedeva, Irina, V; Li, Yingzhou; Lopez-Duran, David; Lopez-Tarifa, Pablo; Lueders, Martin; Marques, Miguel A. L.; Minar, Jan; Mohr, Stephan; Mostofi, Arash A.; O'Cais, Alan; Payne, Mike C.; Ruh, Thomas; Smith, Daniel G. A.; Soler, Jose M.; Strubbe, David A.; Tancogne-Dejean, Nicolas; Tildesley, Dominic; Torrent, Marc; Yu, Victor Wen-zhe 分享 收藏 Siesta: Recent developments and applicationsGarcia, Alberto; Papior, Nick; Akhtar, Arsalan; Artacho, Emilio; Blum, Volker; Bosoni, Emanuele; Brandimarte, Pedro; Brandbyge, Mads; Cerda, J., I; Corsetti, Fabiano; Cuadrado, Ramon; Dikan, Vladimir; Ferrer, Jaime; Gale, Julian; Garcia-Fernandez, Pablo; Garcia-Suarez, V. M.; Garcia, Sandra; Huhs, Georg; Illera, Sergio; Korytar, Richard; Koval, Peter; Lebedeva, Irina; Lin, Lin; Lopez-Tarifa, Pablo; Mayo, Sara G.; Mohr, Stephan; Ordejon, Pablo; Postnikov, Andrei; Pouillon, Yann; Pruneda, Miguel; Robles, Roberto; Sanchez-Portal, Daniel; Soler, Jose M.; Ullah, Rafi; Yu, Victor Wen-zhe; Junquera, Javier 分享 收藏 分享 收藏 分享 收藏 ELSI: A unified software interface for Kohn-Sham electronic structure solversELSI: kohn-sham电子结构求解器的统一软件界面Yu, Victor Wen-zhe; Corsetti, Fabiano; Garcia, Alberto; Huhn, William P.; Jacquelin, Mathias; Jia, Weile; Lange, Bjoern; Lin, Lin; Lu, Jianfeng; Mi, Wenhui; Seifitokaldani, Ali; Vazquez-Mayagoitia, Alvaro; Yang, Chao; Yang, Haizhao; Blum, Volker 分享 收藏 分享 收藏 分享 收藏 Quasiparticle spectra of 2H-NbSe2: Two-band superconductivity and the role of tunneling selectivityNoat, Y.; Silva-Guillen, J. A.; Cren, T.; Cherkez, V.; Brun, C.; Pons, S.; Debontridder, F.; Roditchev, D.; Sacks, W.; Cario, L.; Ordejon, P.; Garcia, A.; Canadell, E. 分享 收藏 分享 收藏 分享 收藏 分享 收藏 分享 收藏 分享 收藏 
.png){kind=icon}
.png){kind=icon}
.png){kind=icon}
.png){kind=icon}
