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Page 1
Simulating Chemistry on Bosonic Quantum Devices.
Dutta R, Cabral DGA, Lyu N, Vu NP, Wang Y, Allen B, Dan X, Cortiñas RG, Khazaei P, Schäfer M, Albornoz ACCD, Smart SE, Nie S, Devoret MH, Mazziotti DA, Narang P, Wang C, Whitfield JD, Wilson AK, Hendrickson HP, Lidar DA, Pérez-Bernal F, Santos LF, Kais S, Geva E, Batista VS. Dutta R, et al. Among authors: whitfield jd. J Chem Theory Comput. 2024 Aug 13;20(15):6426-6441. doi: 10.1021/acs.jctc.4c00544. Epub 2024 Jul 28. J Chem Theory Comput. 2024. PMID: 39068594 Review.
Limitations of Hartree-Fock with quantum resources.
Gulania S, Whitfield JD. Gulania S, et al. Among authors: whitfield jd. J Chem Phys. 2021 Jan 28;154(4):044112. doi: 10.1063/5.0018415. J Chem Phys. 2021. PMID: 33514080
Simulating chemistry using quantum computers.
Kassal I, Whitfield JD, Perdomo-Ortiz A, Yung MH, Aspuru-Guzik A. Kassal I, et al. Among authors: whitfield jd. Annu Rev Phys Chem. 2011;62:185-207. doi: 10.1146/annurev-physchem-032210-103512. Annu Rev Phys Chem. 2011. PMID: 21166541
Recent developments in the PySCF program package.
Sun Q, Zhang X, Banerjee S, Bao P, Barbry M, Blunt NS, Bogdanov NA, Booth GH, Chen J, Cui ZH, Eriksen JJ, Gao Y, Guo S, Hermann J, Hermes MR, Koh K, Koval P, Lehtola S, Li Z, Liu J, Mardirossian N, McClain JD, Motta M, Mussard B, Pham HQ, Pulkin A, Purwanto W, Robinson PJ, Ronca E, Sayfutyarova ER, Scheurer M, Schurkus HF, Smith JET, Sun C, Sun SN, Upadhyay S, Wagner LK, Wang X, White A, Whitfield JD, Williamson MJ, Wouters S, Yang J, Yu JM, Zhu T, Berkelbach TC, Sharma S, Sokolov AY, Chan GK. Sun Q, et al. Among authors: whitfield jd. J Chem Phys. 2020 Jul 14;153(2):024109. doi: 10.1063/5.0006074. J Chem Phys. 2020. PMID: 32668948
19 results