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@ARTICLE{Alexeev:1037653,
      author       = {Alexeev, Yuri and Amsler, Maximilian and Barroca, Marco
                      Antonio and Bassini, Sanzio and Battelle, Torey and Camps,
                      Daan and Casanova, David and Choi, Young Jay and Chong,
                      Frederic T. and Chung, Charles and Codella, Christopher and
                      Córcoles, Antonio D. and Cruise, James and Di Meglio,
                      Alberto and Duran, Ivan and Eckl, Thomas and Economou,
                      Sophia and Eidenbenz, Stephan and Elmegreen, Bruce and Fare,
                      Clyde and Faro, Ismael and Fernández, Cristina Sanz and
                      Ferreira, Rodrigo Neumann Barros and Fuji, Keisuke and
                      Fuller, Bryce and Gagliardi, Laura and Galli, Giulia and
                      Glick, Jennifer R. and Gobbi, Isacco and Gokhale, Pranav and
                      de la Puente Gonzalez, Salvador and Greiner, Johannes and
                      Gropp, Bill and Grossi, Michele and Gull, Emanuel and Healy,
                      Burns and Hermes, Matthew R. and Huang, Benchen and Humble,
                      Travis S. and Ito, Nobuyasu and Izmaylov, Artur F. and
                      Javadi-Abhari, Ali and Jennewein, Douglas and Jha, Shantenu
                      and Jiang, Liang and Jones, Barbara and de Jong, Wibe Albert
                      and Jurcevic, Petar and Kirby, William and Kister, Stefan
                      and Kitagawa, Masahiro and Klassen, Joel and Klymko,
                      Katherine and Koh, Kwangwon and Kondo, Masaaki and
                      Kürkçüog̃lu, Dog̃a Murat and Kurowski, Krzysztof and
                      Laino, Teodoro and Landfield, Ryan and Leininger, Matt and
                      Leyton-Ortega, Vicente and Li, Ang and Lin, Meifeng and Liu,
                      Junyu and Lorente, Nicolas and Luckow, Andre and Martiel,
                      Simon and Martin-Fernandez, Francisco and Martonosi,
                      Margaret and Marvinney, Claire and Medina, Arcesio Castaneda
                      and Merten, Dirk and Mezzacapo, Antonio and Michielsen,
                      Kristel and Mitra, Abhishek and Mittal, Tushar and Moon,
                      Kyungsun and Moore, Joel and Mostame, Sarah and Motta, Mario
                      and Na, Young-Hye and Nam, Yunseong and Narang, Prineha and
                      Ohnishi, Yu-ya and Ottaviani, Daniele and Otten, Matthew and
                      Pakin, Scott and Pascuzzi, Vincent R. and Pednault, Edwin
                      and Piontek, Tomasz and Pitera, Jed and Rall, Patrick and
                      Ravi, Gokul Subramanian and Robertson, Niall and Rossi,
                      Matteo A. C. and Rydlichowski, Piotr and Ryu, Hoon and
                      Samsonidze, Georgy and Sato, Mitsuhisa and Saurabh, Nishant
                      and Sharma, Vidushi and Sharma, Kunal and Shin, Soyoung and
                      Slessman, George and Steiner, Mathias and Sitdikov, Iskandar
                      and Suh, In-Saeng and Switzer, Eric D. and Tang, Wei and
                      Thompson, Joel and Todo, Synge and Tran, Minh C. and Trenev,
                      Dimitar and Trott, Christian and Tseng, Huan-Hsin and
                      Tubman, Norm M. and Tureci, Esin and Valiñas, David García
                      and Vallecorsa, Sofia and Wever, Christopher and
                      Wojciechowski, Konrad and Wu, Xiaodi and Yoo, Shinjae and
                      Yoshioka, Nobuyuki and Yu, Victor Wen-zhe and Yunoki, Seiji
                      and Zhuk, Sergiy and Zubarev, Dmitry},
      title        = {{Q}uantum-centric supercomputing for materials science: {A}
                      perspective on challenges and future directions},
      journal      = {Future generation computer systems},
      volume       = {160},
      issn         = {0167-739X},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier Science},
      reportid     = {FZJ-2025-00818},
      pages        = {666 - 710},
      year         = {2024},
      abstract     = {Computational models are an essential tool for the design,
                      characterization, and discovery of novel materials.
                      Computationally hard tasks in materials science stretch the
                      limits of existing high-performance supercomputing centers,
                      consuming much of their resources for simulation, analysis,
                      and data processing. Quantum computing, on the other hand,
                      is an emerging technology with the potential to accelerate
                      many of the computational tasks needed for materials
                      science. In order to do that, the quantum technology must
                      interact with conventional high-performance computing in
                      several ways: approximate results validation, identification
                      of hard problems, and synergies in quantum-centric
                      supercomputing. In this paper, we provide a perspective on
                      how quantum-centric supercomputing can help address critical
                      computational problems in materials science, the challenges
                      to face in order to solve representative use cases, and new
                      suggested directions.},
      cin          = {JSC},
      ddc          = {004},
      cid          = {I:(DE-Juel1)JSC-20090406},
      pnm          = {5111 - Domain-Specific Simulation $\&$ Data Life Cycle Labs
                      (SDLs) and Research Groups (POF4-511) / 5122 - Future
                      Computing $\&$ Big Data Systems (POF4-512)},
      pid          = {G:(DE-HGF)POF4-5111 / G:(DE-HGF)POF4-5122},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:001272127600001},
      doi          = {10.1016/j.future.2024.04.060},
      url          = {https://juser.fz-juelich.de/record/1037653},
}