Quantum-centric Supercomputing for Materials Science: A Perspective on
Challenges and Future Directions
- URL: http://arxiv.org/abs/2312.09733v1
- Date: Thu, 14 Dec 2023 18:14:22 GMT
- Title: Quantum-centric Supercomputing for Materials Science: A Perspective on
Challenges and Future Directions
- Authors: Yuri Alexeev, Maximilian Amsler, Paul Baity, Marco Antonio Barroca,
Sanzio Bassini, Torey Battelle, Daan Camps, David Casanova, Young jai Choi,
Frederic T. Chong, Charles Chung, Chris Codella, Antonio D. Corcoles, James
Cruise, Alberto Di Meglio, Jonathan Dubois, Ivan Duran, Thomas Eckl, Sophia
Economou, Stephan Eidenbenz, Bruce Elmegreen, Clyde Fare, Ismael Faro,
Cristina Sanz Fern\'andez, Rodrigo Neumann Barros Ferreira, Keisuke Fuji,
Bryce Fuller, Laura Gagliardi, Giulia Galli, Jennifer R. Glick, Isacco Gobbi,
Pranav Gokhale, Salvador de la Puente Gonzalez, Johannes Greiner, Bill Gropp,
Michele Grossi, Emmanuel Gull, Burns Healy, Benchen Huang, Travis S. Humble,
Nobuyasu Ito, Artur F. Izmaylov, Ali Javadi-Abhari, Douglas Jennewein,
Shantenu Jha, Liang Jiang, Barbara Jones, Wibe Albert de Jong, Petar
Jurcevic, William Kirby, Stefan Kister, Masahiro Kitagawa, Joel Klassen,
Katherine Klymko, Kwangwon Koh, Masaaki Kondo, Doga Murat Kurkcuoglu,
Krzysztof Kurowski, Teodoro Laino, Ryan Landfield, Matt Leininger, Vicente
Leyton-Ortega, Ang Li, Meifeng Lin, Junyu Liu, Nicolas Lorente, Andre Luckow,
Simon Martiel, Francisco Martin-Fernandez, Margaret Martonosi, Claire
Marvinney, Arcesio Castaneda Medina, Dirk Merten, Antonio Mezzacapo, Kristel
Michielsen, Abhishek Mitra, Tushar Mittal, Kyungsun Moon, Joel Moore, Mario
Motta, Young-Hye Na, Yunseong Nam, Prineha Narang, Yu-ya Ohnishi, Daniele
Ottaviani, Matthew Otten, Scott Pakin, Vincent R. Pascuzzi, Ed Penault,
Tomasz Piontek, Jed Pitera, Patrick Rall, Gokul Subramanian Ravi, Niall
Robertson, Matteo Rossi, Piotr Rydlichowski, Hoon Ryu, Georgy Samsonidze,
Mitsuhisa Sato, Nishant Saurabh, Vidushi Sharma, Kunal Sharma, Soyoung Shin,
George Slessman, Mathias Steiner, Iskandar Sitdikov, In-Saeng Suh, Eric
Switzer, Wei Tang, Joel Thompson, Synge Todo, Minh Tran, Dimitar Trenev,
Christian Trott, Huan-Hsin Tseng, Esin Tureci, David Garc\'ia Valinas, Sofia
Vallecorsa, Christopher Wever, Konrad Wojciechowski, Xiaodi Wu, Shinjae Yoo,
Nobuyuki Yoshioka, Victor Wen-zhe Yu, Seiji Yunoki, Sergiy Zhuk, Dmitry
Zubarev
- Abstract summary: Hard computational tasks in materials science stretch the limits of existing high-performance supercomputing centers.
Quantum computing, on the other hand, is an emerging technology with the potential to accelerate many of the computational tasks needed for materials science.
- Score: 20.785521465797203
- License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
- Abstract: Computational models are an essential tool for the design, characterization,
and discovery of novel materials. Hard computational tasks in materials science
stretch the limits of existing high-performance supercomputing centers,
consuming much of their simulation, analysis, and data resources. 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.
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