Results 1 to 10 of about 137,894 (156)
Universal quantum circuits for quantum chemistry [PDF]
Quantum, 2022 Universal gate sets for quantum computing have been known for decades, yet no universal gate set has been proposed for particle-conserving unitaries, which are the operations of interest in quantum chemistry.
Juan Miguel Arrazola +5 more
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Analysis of Influencing Factors in Quantum Chemistry Simulation Based on VQE Algorithm [PDF]
EntropyThe Variational Quantum Eigensolver (VQE), as one of the most promising quantum algorithms in the Noisy Intermediate-Scale Quantum (NISQ) era, exhibits unique advantages in quantum chemistry simulations.
Meng Zhang, Jian Kang, Qian Wu, Bing Han
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Magnetic topological quantum chemistry [PDF]
Nature Communications, 2021 The band topology of nonmagnetic crystals can be characterized by Topological Quantum Chemistry (TQC), whereas the band topology of magnetic crystals remains unexplored.
Luis Elcoro +5 more
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Quantum Algorithms for Quantum Chemistry and Quantum Materials Science [PDF]
Chemical Reviews, 2020 33 pages, 21 ...
Bela Bauer +2 more
exaly +5 more sources
Analogue quantum chemistry simulation [PDF]
Nature, 2019 Accepted version of the paper and minor ...
Javier Argüello-Luengo +2 more
exaly +9 more sources
Quantum Chemistry in the Age of Quantum Computing [PDF]
Chemical Reviews, 2019 Practical challenges in simulating quantum systems on classical computers have been widely recognized in the quantum physics and quantum chemistry communities over the past century. Although many approximation methods have been introduced, the complexity of quantum mechanics remains hard to appease. The advent of quantum computation brings new pathways
Sukin Sim +2 more
exaly +5 more sources
Strong light-matter coupling in quantum chemistry and quantum photonics
Nanophotonics, 2018 In this article, we review strong light-matter coupling at the interface of materials science, quantum chemistry, and quantum photonics. The control of light and heat at thermodynamic limits enables exciting new opportunities for the rapidly converging ...
Flick Johannes +2 more
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Imaging quantum chemistry in action with quantum attomicroscopy [PDF]
Communications ChemistryUnderstanding how quantum electron and nuclei motions drive biomolecular reactions is a foundational challenge in quantum chemistry and biology. While ultrafast charge migration in DNA is theorized to influence genome stability and signaling, real-time ...
Nikolay V. Golubev, Mohammed Th. Hassan
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Localized Quantum Chemistry on Quantum Computers [PDF]
Journal of Chemical Theory and Computation, 2021 Quantum chemistry calculations of large, strongly correlated systems are typically limited by the computation cost that scales exponentially with the size of the system. Quantum algorithms, designed specifically for quantum computers, can alleviate this, but the resources required are still too large for today’s quantum devices.
Otten, Matthew +5 more
openaire +5 more sources
Engineering bandgap of CsPbI3 over 1.7 eV with enhanced stability and transport properties
iScience, 2021 Summary: Potential multijunction application of CsPbI3 perovskite with silicon solar cells to reach efficiencies beyond the Shockley-Queisser limit motivates tremendous efforts to improve its phase stability and further enlarge its band gap between 1.7 ...
Shumao Xu +3 more
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