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The computation of electronic structure properties at the quantum level is a crucial aspect of modern physics research.
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Peruzzo, A., McClean, J., Shadbolt, P., Yung, M-H., Zhou, X-Q., Love, P. J., Aspuru-Guzik, A., O’Brien, L. (2013). A Variational Eigenvalue Solver on a Photonic Quantum Processor
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Hetzel, R. E., Topalis, P., & Becker, K. W. (1997), Projector Quantum Monte Carlo Simulations of the Hubbard Model: Staggered Magnetization
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Kitaev, A. Y. (1997). Quantum Computations: Algorithms and Error Correction
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Shor, P. W. (1997). Polynomial-Time Algorithms for Prime Factorization and Discrete Logarithms on a Quantum Computer
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Foulkes, W. M. C., Mitas, L., Needs, R. J., & Rajagopal, G. (2001). Quantum Monte Carlo Simulations of Solids
2001
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Steudtner, M., & Wehner, S. (2018). Fermion-to-Qubit Mappings with Varying Resource Requirements for Quantum Simulation
2018
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Xia, R., & Kais S. (2018). Quantum Machine Learning for Electronic Structure Calculations
2018
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Frank, T., Derian, R., Tokár, K., Mitas, L., Fabian, J., & Štich, I. (2019). Many-Body Quantum Monte Carlo Study of 2D Materials: Cohesion and Band Gap in Single-Layer Phosphorene
2019
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Rossmannek, M., Barkoutsos, P. K., Ollitrault, P. J., & Tavernelli, I. (2021). Quantum HF/DFT-Embedding Algorithms for Electronic Structure Calculations: Scaling up to Complex Molecular Systems
2021
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Sureshbabu, S. H., Sajjan, M., Oh, S., & Kais, S. (2021). Implementation of Quantum Machine Learning for Electronic Structure Calculations of Periodic Systems on Quantum Computing Devices
2021
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Weigel, M., Barash, L., Shchur, L., & Janke, W. (2021). Understanding Population Annealing Monte Carlo Simulations
2021
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Lee, J., Pham, H. Q., & Reichman, D. R. (2022). Twenty Years of Auxiliary-Field Quantum Monte Carlo in Quantum Chemistry: An Overview and Assessment on Main Group Chemistry and Bond-Breaking
2022
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2023
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2023
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Song, D., Bauman, N. P., Prawiroatmodjo, G., Peng, B., Granade, C., Rosso, K. M., Low, G. H., Roetteler, M., Kowalski, K., & Bylaska, E. J. (2023). Periodic Plane-Wave Electronic Structure Calculations on Quantum Computers
2023
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