未登录 MC3D: the materials cloud computational database of experimentally known stoichiometric inorganics MC3D：实验已知配比无机物的材料云计算数据库 Huber, Sebastiaan P.; Minotakis, Michail; Bercx, Marnik; Reents, Timo; Eimre, Kristjan; Paulish, Nataliya; Hormann, Nicolas; Uhrin, Martin; Marzari, Nicola; Pizzi, Giovanni 分享 收藏
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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
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
Understanding Superionic Conductivity in Lithium and Sodium Salts of Weakly Coordinating Closo-Hexahalocarbaborate Anions 了解弱配位的六卤碳硼酸根阴离子的锂盐和钠盐中的超离子电导率 Jorgensen, Mathias; Shea, Patrick T.; Tomich, Anton W.; Varley, Joel B.; Bercx, Marnik; Lovera, Sergio; Cerny, Radovan; Zhou, Wei; Udovic, Terrence J.; Lavallo, Vincent; Jensen, Torben R.; Wood, Brandon C.; Stavila, Vitalie 分享 收藏
An in-depth study of Sn substitution in Li-rich/Mn-rich NMC as a cathode material for Li-ion batteries Paulus, Andreas; Hendrickx, Mylene; Bercx, Marnik; Karakulina, Olesia M.; Kirsanova, Maria A.; Lamoen, Dirk; Hadermann, Joke; Abakumov, Artem M.; Van Bael, Marlies K.; Hardy, An 分享 收藏
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Carbon Incorporation and Anion Dynamics as Synergistic Drivers for Ultrafast Diffusion in Superionic LiCB11H12 and NaCB11H12 Dimitrievska, Mirjana; Shea, Patrick; Kweon, Kyoung E.; Bercx, Marnik; Varley, Joel B.; Tang, Wan Si; Skripov, Alexander V.; Stavila, Vitalie; Udovic, Terrence J.; Wood, Brandon C. 分享 收藏
Structure and vacancy distribution in copper telluride nanoparticles influence plasmonic activity in the near-infrared Willhammar, Tom; Sentosun, Kadir; Mourdikoudis, Stefanos; Goris, Bart; Kurttepeli, Mert; Bercx, Marnik; Lamoen, Dirk; Partoens, Bart; Pastoriza-Santos, Isabel; Perez-Juste, Jorge; Liz-Marzan, Luis M.; Bals, Sara; Van Tendeloo, Gustaaf 分享 收藏
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