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Roadmap on Methods and Software for Electronic Structure Based Simulations in Chemistry and Materials

Volker Blum,Ryoji Asahi,Jochen Autschbach,Christoph Bannwarth,Gustav Bihlmayer,Stefan Bluegel,Lori A. Burns,T. Daniel Crawford,William Dawson,Wibe Albert de Jong,Claudia Draxl,Claudia Filippi,Luigi Genovese,Paolo Giannozzi,Niranjan Govind,Sharon Hammes-Schiffer,Jeff R. Hammond,Benjamin Hourahine,Anubhav Jain,Yosuke Kanai,Paul R. C. Kent,Ask Hjorth Larsen,Susi Lehtola,Xiaosong Li,Roland Lindh,Satoshi Maeda,Nancy Makri,Jonathan Moussa,Takahito Nakajima,Jessica A. Nash,Micael J. T. Oliveira, Pansy D. Patel,Giovanni Pizzi,Geoffrey Pourtois,Benjamin P. Pritchard,Eran Rabani,Markus Reiher,Lucia Reining,Xinguo Ren,Mariana Rossi,H. Bernhard Schlegel,Nicola Seriani,Lyudmila V. Slipchenko,Alexander Thom,Edward F. Valeev,Benoit Van Troeye,Lucas Visscher,Vojtech Vlcek,Hans-Joachim Werner,David B. Williams-Young,Theresa L. Windus

ELECTRONIC STRUCTURE（2024）

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关键词
electronic structure,software,future directions
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