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SaveQuantum-centric supercomputing for materials science: A perspective on challenges and future directions
Alexeev, Yuri; Amsler, Maximilian; Barroca, Marco Antonio; Bassini, Sanzio; Battelle, Torey; Camps, Daan; Casanova, David; Choi, Young Jay; Chong, Frederic T.; Chung, Charles; Codella, Christopher; Corcoles, Antonio D.; Cruise, James; Di Meglio, Alberto; Duran, Ivan; Eckl, Thomas; Economou, Sophia; Eidenbenz, Stephan; Elmegreen, Bruce; Fare, Clyde; Faro, Ismael; Fernandez, Cristina Sanz; Ferreira, Rodrigo Neumann Barros; Fuji, Keisuke; Fuller, Bryce; Gagliardi, Laura; Galli, Giulia; Glick, Jennifer R.; Gobbi, Isacco; Gokhale, Pranav; Gonzalez, Salvador de la Puente; Greiner, Johannes; Gropp, Bill; Grossi, Michele; Gull, Emanuel; Healy, Burns; Hermes, Matthew R.; Huang, Benchen; Humble, Travis S.; Ito, Nobuyasu; Izmaylov, Artur F.; Javadi-Abhari, Ali; Jennewein, Douglas; Jha, Shantenu; Jiang, Liang; Jones, Barbara; de Jong, Wibe Albert; Jurcevic, Petar; Kirby, William; Kister, Stefan; Kitagawa, Masahiro; Klassen, Joel; Klymko, Katherine; Koh, Kwangwon; Kondo, Masaaki; Kurkcuoglu, Doga Murat; Kurowski, Krzysztof; Laino, Teodoro; Landfield, Ryan; Leininger, Matt; Leyton-Ortega, Vicente; Li, Ang; Lin, Meifeng; Liu, Junyu; Lorente, Nicolas; Luckow, Andre; Martiel, Simon; Martin-Fernandez, Francisco; Martonosi, Margaret; Marvinney, Claire; Medina, Arcesio Castaneda; Merten, Dirk; Mezzacapo, Antonio; Michielsen, Kristel; Mitra, Abhishek; Mittal, Tushar; Moon, Kyungsun; Moore, Joel; Mostame, Sarah; Motta, Mario; Na, Young-Hye; Nam, Yunseong; Narang, Prineha; Ohnishi, Yu-ya; Ottaviani, Daniele; Otten, Matthew; Pakin, Scott; Pascuzzi, Vincent R.; Pednault, Edwin; Piontek, Tomasz; Pitera, Jed; Rall, Patrick; Ravi, Gokul Subramanian; Robertson, Niall; Rossi, Matteo A. C.; Rydlichowski, Piotr; Ryu, Hoon; Samsonidze, Georgy; Sato, Mitsuhisa; Saurabh, Nishant; Sharma, Vidushi; Sharma, Kunal; Shin, Soyoung; Slessman, George; Steiner, Mathias; Sitdikov, Iskandar; Suh, In-Saeng; Switzer, Eric D.; Tang, Wei; Thompson, Joel; Todo, Synge; Tran, Minh C.; Trenev, Dimitar; Trott, Christian; Tseng, Huan-Hsin; Tubman, Norm M.; Tureci, Esin; Valinas, David Garcia; Vallecorsa, Sofia; Wever, Christopher; Wojciechowski, Konrad; Wu, Xiaodi; Yoo, Shinjae; Yoshioka, Nobuyuki; Yu, Victor Wen-zhe; Yunoki, Seiji; Zhuk, Sergiy; Zubarev, Dmitry
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SaveA Flexible Dihydrogen-Bonded Organic Framework with Selective Gas Adsorption Properties
Yuan, Yanbin; Wang, Lingyao; Li, Jiahao; Jiang, Yunjia; Sun, Wanqi; Han, Yan; Luan, Binquan; Bayer, Jessica; Ferreira, Rodrigo Neumann Barros; Steiner, Mathias; Chen, Banglin; Zhang, Yuanbin
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SaveEnhanced carbon dioxide drainage observed in digital rock under intermediate wetting conditions
Azpiroz, Jaione Tirapu; Giro, Ronaldo; Neumann Barros Ferreira, Rodrigo; Nogueira Pereira da Silva, Marcio; Fernandes Blanco Rodriguez, Manuela; Lopez, Adolfo E. Correa; Vasquez, David A. Lazo; Esteves Ferreira, Matheus; Del Grande, Mariana; Ferreira Da Silva, Ademir; Steiner, Mathias B.
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SaveMDLab: AI frameworks for carbon capture and battery materials
Elmegreen, Bruce; Hamann, Hendrik F.; Wunsch, Benjamin; Van Kessel, Theodore; Luan, Binquan; Elengikal, Tonia; Steiner, Mathias; Ferreira, Rodrigo Neumann Barros; Ohta, Ricardo Luis; Oliveira, Felipe Lopes; Mcdonagh, James L.; O'Conchuir, Breanndan; Zavitsanou, Stamatia; Harrison, Alexander; Cipcigan, Flaviu; de Mel, Geeth; La, Young-Hye; Sharma, Vidushi; Zubarev, Dmitry Yu
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SaveScreening Hoffman-type metal organic frameworks for efficient C2H2/CO2 separation
Lou, Wushuang; Li, Jiahao; Sun, Wanqi; Hu, Yongqi; Wang, Lingyao; Neumann, Rodrigo F.; Steiner, Mathias; Gu, Zonglin; Luan, Binquan; Zhang, Yuanbin
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