Publications
Publications by Category
2020
Gonze, Xavier, Bernard Amadon, Gabriel Antonius, Frédéric Arnardi, Lucas Baguet, Jean-Michel Beuken, Jordan Bieder, François Bottin, Johann Bouchet, Eric Bousquet, Nils Brouwer, Fabien Bruneval, Guillaume Brunin, Théo Cavignac, Jean-Baptiste Charraud, Wei Chen, Michel Côté, Stefaan Cottenier, Jules Denier, Grégory Geneste, Philippe Ghosez, Matteo Giantomassi, Yannick Gillet, Olivier Gingras, Donald R Hamann, Geoffroy Hautier, Xu He, Nicole Helbig, Natalie Holzwarth, Yongchao Jia, François Jollet, William Lafargue-Dit-Hauret, Kurt Lejaeghere, Miguel A.L Marques, Alexandre Martin, Cyril Martins, Henrique P.C Miranda, Francesco Naccarato, Kristin A Persson, Guido Petretto, Valentin Planes, Yann Pouillon, Sergei Prokhorenko, Fabio Ricci, Gian-Marco Rignanese, Aldo H Romero, Michael Marcus Schmitt, Marc Torrent, Michiel J van Setten, Benoit Van Troeye, Matthieu J Verstraete, Gilles Zérah, and Josef W Zwanziger."The Abinitproject: Impact, environment and recent developments."Computer Physics Communications
248 (2020) 107042. DOI
2017
Canepa, Pieremanuele, Sai Gautam Gopalakrishnan, Daniel C Hannah, Rahul Malik, Miao Liu, Kevin G Gallagher, Kristin A Persson, and Gerbrand Ceder."Odyssey of Multivalent Cathode Materials: Open Questions and Future Challenges."Chemical Reviews
117.5 (2017) 4287 - 4341. DOI
2016
Liu, Miao, Anubhav Jain, Ziqin Rong, Xiaohui Qu, Pieremanuele Canepa, Rahul Malik, Gerbrand Ceder, and Kristin A Persson."Evaluation of sulfur spinel compounds for multivalent battery cathode applications."Energy & Environmental Science
9.10 (2016) 3201 - 3209. DOI
2015
Rong, Ziqin, Rahul Malik, Pieremanuele Canepa, Sai Gautam Gopalakrishnan, Miao Liu, Anubhav Jain, Kristin A Persson, and Gerbrand Ceder."Materials Design Rules for Multivalent Ion Mobility in Intercalation Structures."Chemistry of Materials
27.17 (2015) 6016 - 6021. DOI
Gautam, Gopalakrishnan Sai, Pieremanuele Canepa, Rahul Malik, Miao Liu, Kristin A Persson, and Gerbrand Ceder."First-principles evaluation of multi-valent cation insertion into orthorhombic V2O5."Chemical Communications
51.71 (2015) 13619 - 13622. DOI
Canepa, Pieremanuele, Gopalakrishnan Sai Gautam, Rahul Malik, Saivenkataraman Jayaraman, Ziqin Rong, Kevin R Zavadil, Kristin A Persson, and Gerbrand Ceder."Understanding the Initial Stages of Reversible Mg Deposition and Stripping in Inorganic Nonaqueous Electrolytes."Chemistry of Materials
27.9 (2015) 3317 - 3325. DOI
Liu, Miao, Ziqin Rong, Rahul Malik, Pieremanuele Canepa, Anubhav Jain, Gerbrand Ceder, and Kristin A Persson."Spinel compounds as multivalent battery cathodes: a systematic evaluation based on ab initio calculations."Energy & Environmental Science
8 (2015) 964-974. DOI