@misc{indiciaea26be3a6b79a, title = {Roadmap on methods and software for electronic structure based simulations in chemistry and materials}, author = {Blum, Volker and Asahi, Ryoji and Autschbach, Jochen and Bannwarth, Christoph and Bihlmayer, Gustav and Blügel, Stefan and Burns, Lori A. and Crawford, T. Daniel and Dawson, William and de Jong, Wibe Albert and Draxl, Claudia and Filippi, Claudia and Genovese, Luigi and Giannozzi, Paolo and Govind, Niranjan and Hammes-Schiffer, Sharon and Hammond, Jeff R. and Hourahine, Benjamin and Jain, Anubhav and Kanai, Yosuke and Kent, Paul R. C. and Larsen, Ask Hjorth and Lehtola, Susi and Li, Xiaosong and Lindh, Roland and Maeda, Satoshi and Makri, Nancy and Moussa, Jonathan and Nakajima, Takahito and Nash, Jessica A. and Oliveira, Micael J. T. and Patel, Pansy D. and Pizzi, Giovanni and Pourtois, Geoffrey and Pritchard, Benjamin P. and Rabani, Eran and Reiher, Markus and Reining, Lucia and Ren, Xinguo and Rossi, Mariana and Schlegel, H. Bernhard and Seriani, Nicola and Slipchenko, Lyudmila V. and Thom, Alexander and Valeev, Edward F. and Van Troeye, Benoit and Visscher, Lucas and Vlcek, Vojtech and Werner, Hans-Joachim and Williams-Young, David B. and Windus, Theresa}, year = {2024}, doi = {10.1088/2516-1075/ad48ec}, url = {https://www.osti.gov/biblio/2438317}, note = {Source identifier: 2438317} }