Zobrazeno 1 - 10
of 640
pro vyhledávání: '"Motta, Mario"'
Solving the electronic Schrodinger equation for strongly correlated ground states is a long-standing challenge. We present quantum algorithms for the variational optimization of wavefunctions correlated by products of unitary operators, such as Local
Externí odkaz:
http://arxiv.org/abs/2408.01833
Autor:
Yoshioka, Nobuyuki, Amico, Mirko, Kirby, William, Jurcevic, Petar, Dutt, Arkopal, Fuller, Bryce, Garion, Shelly, Haas, Holger, Hamamura, Ikko, Ivrii, Alexander, Majumdar, Ritajit, Minev, Zlatko, Motta, Mario, Pokharel, Bibek, Rivero, Pedro, Sharma, Kunal, Wood, Christopher J., Javadi-Abhari, Ali, Mezzacapo, Antonio
The estimation of low energies of many-body systems is a cornerstone of computational quantum sciences. Variational quantum algorithms can be used to prepare ground states on pre-fault-tolerant quantum processors, but their lack of convergence guaran
Externí odkaz:
http://arxiv.org/abs/2407.14431
Autor:
Robledo-Moreno, Javier, Motta, Mario, Haas, Holger, Javadi-Abhari, Ali, Jurcevic, Petar, Kirby, William, Martiel, Simon, Sharma, Kunal, Sharma, Sandeep, Shirakawa, Tomonori, Sitdikov, Iskandar, Sun, Rong-Yang, Sung, Kevin J., Takita, Maika, Tran, Minh C., Yunoki, Seiji, Mezzacapo, Antonio
A universal quantum computer can be used as a simulator capable of predicting properties of diverse quantum systems. Electronic structure problems in chemistry offer practical use cases around the hundred-qubit mark. This appears promising since curr
Externí odkaz:
http://arxiv.org/abs/2405.05068
Autor:
Wang, Qiaohong, Agarawal, Valay, Hermes, Matthew R., Motta, Mario, Rice, Julia E., Jones, Gavin O., Gagliardi, Laura
Modeling chemical reactions with quantum chemical methods is challenging when the electronic structure varies significantly throughout the reaction, as well as when electronic excited states are involved. Multireference methods such as complete activ
Externí odkaz:
http://arxiv.org/abs/2404.14512
Autor:
Liepuoniute, Ieva, Motta, Mario, Pellegrini, Thaddeus, Rice, Julia E., Gujarati, Tanvi P., Gil, Sofia, Jones, Gavin O.
The simulation of chemical reactions is an anticipated application of quantum computers. Using a Diels-Alder reaction as a test case, in this study we explore the potential applications of quantum algorithms and hardware in investigating chemical rea
Externí odkaz:
http://arxiv.org/abs/2403.08107
Autor:
Kamakari, Hirsh, Sun, Jiace, Li, Yaodong, Thio, Jonathan J., Gujarati, Tanvi P., Fisher, Matthew P. A., Motta, Mario, Minnich, Austin J.
Quantum systems subject to random unitary evolution and measurements at random points in spacetime exhibit entanglement phase transitions which depend on the frequency of these measurements. Past work has experimentally observed entanglement phase tr
Externí odkaz:
http://arxiv.org/abs/2403.00938
Autor:
Alexeev, Yuri, Amsler, Maximilian, Baity, Paul, Barroca, Marco Antonio, Bassini, Sanzio, Battelle, Torey, Camps, Daan, Casanova, David, Choi, Young Jai, Chong, Frederic T., Chung, Charles, Codella, Chris, Corcoles, Antonio D., Cruise, James, Di Meglio, Alberto, Dubois, Jonathan, Duran, Ivan, Eckl, Thomas, Economou, Sophia, Eidenbenz, Stephan, Elmegreen, Bruce, Fare, Clyde, Faro, Ismael, Fernández, 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, 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, Motta, Mario, Na, Young-Hye, Nam, Yunseong, Narang, Prineha, Ohnishi, Yu-ya, Ottaviani, Daniele, Otten, Matthew, Pakin, Scott, Pascuzzi, Vincent R., Penault, Ed, Piontek, Tomasz, Pitera, Jed, Rall, Patrick, Ravi, Gokul Subramanian, Robertson, Niall, Rossi, Matteo, 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, Tang, Wei, Thompson, Joel, Todo, Synge, Tran, Minh, Trenev, Dimitar, Trott, Christian, Tseng, Huan-Hsin, Tureci, Esin, Valinas, David García, Vallecorsa, Sofia, Wever, Christopher, Wojciechowski, Konrad, Wu, Xiaodi, Yoo, Shinjae, Yoshioka, Nobuyuki, Yu, Victor Wen-zhe, Yunoki, Seiji, Zhuk, Sergiy, Zubarev, Dmitry
Publikováno v:
Future Generation Computer Systems, Volume 160, November 2024, Pages 666-710
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 the
Externí odkaz:
http://arxiv.org/abs/2312.09733
Autor:
Motta, Mario, Kirby, William, Liepuoniute, Ieva, Sung, Kevin J., Cohn, Jeffrey, Mezzacapo, Antonio, Klymko, Katherine, Nguyen, Nam, Yoshioka, Nobuyuki, Rice, Julia E.
Quantum subspace methods (QSMs) are a class of quantum computing algorithms where the time-independent Schrodinger equation for a quantum system is projected onto a subspace of the underlying Hilbert space. This projection transforms the Schrodinger
Externí odkaz:
http://arxiv.org/abs/2312.00178
Green's function methods lead to ab initio, systematically improvable simulations of molecules and materials while providing access to multiple experimentally observable properties such as the density of states and the spectral function. The calculat
Externí odkaz:
http://arxiv.org/abs/2309.09914
The computation of excited electronic states is an important application for quantum computers. In this work, we simulate the excited state spectra of four aromatic heterocycles on IBM superconducting quantum computers, focusing on active spaces of $
Externí odkaz:
http://arxiv.org/abs/2309.09868