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Computational complexity in electronic structure.
Whitfield JD, Love PJ, Aspuru-Guzik A. Whitfield JD, et al. Phys Chem Chem Phys. 2013 Jan 14;15(2):397-411. doi: 10.1039/c2cp42695a. Epub 2012 Nov 22. Phys Chem Chem Phys. 2013. PMID: 23172634
Quantum Simulation of Helium Hydride Cation in a Solid-State Spin Register.
Wang Y, Dolde F, Biamonte J, Babbush R, Bergholm V, Yang S, Jakobi I, Neumann P, Aspuru-Guzik A, Whitfield JD, Wrachtrup J. Wang Y, et al. Among authors: whitfield jd. ACS Nano. 2015 Aug 25;9(8):7769-74. doi: 10.1021/acsnano.5b01651. Epub 2015 Apr 29. ACS Nano. 2015. PMID: 25905564 Free article.
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
Towards quantum chemistry on a quantum computer.
Lanyon BP, Whitfield JD, Gillett GG, Goggin ME, Almeida MP, Kassal I, Biamonte JD, Mohseni M, Powell BJ, Barbieri M, Aspuru-Guzik A, White AG. Lanyon BP, et al. Among authors: whitfield jd. Nat Chem. 2010 Feb;2(2):106-11. doi: 10.1038/nchem.483. Epub 2010 Jan 10. Nat Chem. 2010. PMID: 21124400
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
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
18 results