Park, J. W., Al-Saadon, R., MacLeod, M. K., Shiozaki, T. & Vlaisavljevich, B. Multireference electron correlation methods: journeys along potential energy surfaces. Chem. Rev. 120, 5878–5909 (2020).
Article CAS PubMed Google Scholar
Park, J. W. & Shiozaki, T. On-the-fly CASPT2 surface-hopping dynamics. J. Chem. Theory Comput. 13, 3676–3683 (2017).
Article CAS PubMed Google Scholar
Larsson, H. R., Zhai, H., Umrigar, C. J. & Chan, G. K.-L. The chromium dimer: closing a chapter of quantum chemistry. J. Am. Chem. Soc. 144, 15932–15937 (2022).
Article CAS PubMed PubMed Central Google Scholar
Cirac, J. I. & Zoller, P. Goals and opportunities in quantum simulation. Nat. Phys. 8, 264–266 (2012).
Georgescu, I. M., Ashhab, S. & Nori, F. Quantum simulation. Rev. Mod. Phys. 86, 153 (2014).
Daley, A. J. et al. Practical quantum advantage in quantum simulation. Nature 607, 667–676 (2022).
Article CAS PubMed Google Scholar
Alexeev, Y. et al. Quantum computer systems for scientific discovery. PRX Quantum 2, 017001 (2021).
Lee, S. et al. Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry. Nat. Commun. 14, 1952 (2023).
Article CAS PubMed PubMed Central Google Scholar
Kassal, I., Jordan, S. P., Love, P. J., Mohseni, M. & Aspuru-Guzik, A. Polynomial-time quantum algorithm for the simulation of chemical dynamics. Proc. Natl Acad. Sci. USA 105, 18681–18686 (2008).
Article CAS PubMed PubMed Central Google Scholar
Sawaya, N. P. D. et al. Resource-efficient digital quantum simulation of d-level systems for photonic, vibrational, and spin-s Hamiltonians. npj Quantum Inf. 6, 49 (2020).
Jahangiri, S., Arrazola, J. M., Quesada, N. & Delgado, A. Quantum algorithm for simulating molecular vibrational excitations. Phys. Chem. Chem. Phys. 22, 25528–25537 (2020).
Article CAS PubMed Google Scholar
MacDonell, R. J. et al. Analog quantum simulation of chemical dynamics. Chem. Sci. 12, 9794–9805 (2021). This article suggests performing analog quantum simulation of chemical dynamics using quantum architectures consisting of qudits and bosonic oscillators, such as ion traps and circuit quantum electrodynamics.
Article CAS PubMed PubMed Central Google Scholar
Saha, D., Iyengar, S. S., Richerme, P., Smith, J. M. & Sabry, A. Mapping quantum chemical dynamics problems to spin-lattice simulators. J. Chem. Theory Comput. 17, 6713–6732 (2021).
Article CAS PubMed Google Scholar
Kitaev, A. Y. Quantum measurements and the Abelian Stabilizer Problem. Preprint at arXiv arxiv.org/abs/quant-ph/9511026 (1996).
Aspuru-Guzik, A., Dutoi, A. D., Love, P. J. & Head-Gordon, M. Simulated quantum computation of molecular energies. Science 309, 1704–1707 (2005).
Article CAS PubMed Google Scholar
Lanyon, B. P. et al. Towards quantum chemistry on a quantum computer. Nat. Chem. 2, 106–111 (2010).
Article CAS PubMed Google Scholar
Whitfield, J. D., Biamonte, J. & Aspuru-Guzik, A. Simulation of electronic structure Hamiltonians using quantum computers. Mol. Phys. 109, 735–750 (2011).
Peruzzo, A. et al. A variational eigenvalue solver on a photonic quantum processor. Nat. Commun. 5, 4213 (2014).
Article CAS PubMed Google Scholar
O’Malley, P. J. et al. Scalable quantum simulation of molecular energies. Phys. Rev. X 6, 031007 (2016).
Kandala, A. et al. Hardware-efficient variational quantum eigensolver for small molecules and quantum magnets. Nature 549, 242–246 (2017).
Article CAS PubMed Google Scholar
Nam, Y. et al. Ground-state energy estimation of the water molecule on a trapped-ion quantum computer. npj Quantum Inf. 6, 33 (2020).
Wang, L., Allodi, M. A. & Engel, G. S. Quantum coherences reveal excited-state dynamics in biophysical systems. Nat. Rev. Chem. 3, 477–490 (2019).
Cao, J. et al. Quantum biology revisited. Sci. Adv. 6, eaaz4888 (2020). This review discusses the possible presence and role of coherent oscillations in biological light harvesting that involve both electronic and vibrational degrees of freedom.
Article CAS PubMed PubMed Central Google Scholar
Hammes-Schiffer, S. & Soudackov, A. V. Proton-coupled electron transfer in solution, proteins, and electrochemistry. J. Phys. Chem. B 112, 14108–14123 (2008).
Article CAS PubMed PubMed Central Google Scholar
Hammes-Schiffer, S. Proton-coupled electron transfer: moving together and charging forward. J. Am. Chem. Soc. 137, 8860–8871 (2015).
Article CAS PubMed PubMed Central Google Scholar
Reiher, M., Wiebe, N., Svore, K. M., Wecker, D. & Troyer, M. Elucidating reaction mechanisms on quantum computers. Proc. Natl Acad. Sci. USA 114, 7555–7560 (2017).
Article CAS PubMed PubMed Central Google Scholar
Babbush, R. et al. Encoding electronic spectra in quantum circuits with linear T complexity. Phys. Rev. X 8, 041015 (2018).
Su, Y., Berry, D. W., Wiebe, N., Rubin, N. & Babbush, R. Fault-tolerant quantum simulations of chemistry in first quantization. PRX Quantum 2, 040332 (2021).
Kim, I. H. et al. Fault-tolerant resource estimate for quantum chemical simulations: case study on Li-ion battery electrolyte molecules. Phys. Rev. Res. 4, 023019 (2022).
Houck, A. A., Türeci, H. E. & Koch, J. On-chip quantum simulation with superconducting circuits. Nat. Phys. 8, 292–299 (2012).
Hartmann, M. J. Quantum simulation with interacting photons. J. Opt. 18, 104005 (2016).
Greiner, M., Mandel, O., Esslinger, T., Hänsch, T. W. & Bloch, I. Quantum phase transition from a superfluid to a Mott insulator in a gas of ultracold atoms. Nature 415, 39–44 (2002).
Article CAS PubMed Google Scholar
Gross, C. & Bloch, I. Quantum simulations with ultracold atoms in optical lattices. Science 357, 995–1001 (2017).
Article CAS PubMed Google Scholar
Aspuru-Guzik, A. & Walther, P. Photonic quantum simulators. Nat. Phys. 8, 285–291 (2012).
Blatt, R. & Roos, C. F. Quantum simulations with trapped ions. Nat. Phys. 8, 277–284 (2012).
Monroe, C. et al. Programmable quantum simulations of spin systems with trapped ions. Rev. Mod. Phys. 93, 025001 (2021).
Brown, K. R., Kim, J. & Monroe, C. Co-designing a scalable quantum computer with trapped atomic ions. npj Quantum Inf. 2, 16034 (2016).
Bruzewicz, C. D., Chiaverini, J., McConnell, R. & Sage, J. M. Trapped-ion quantum computing: progress and challenges. Appl. Phys. Rev. 6, 021314 (2019).
Kienzler, D. et al. Observation of quantum interference between separated mechanical oscillator wave packets. Phys. Rev. Lett. 116, 140402 (2016).
Article CAS PubMed Google Scholar
Um, M. et al. Phonon arithmetic in a trapped ion system. Nat. Commun. 7, 11410 (2016).
Article CAS PubMed PubMed Central Google Scholar
Zhang, J. et al. NOON states of nine quantized vibrations in two radial modes of a trapped ion. Phys. Rev. Lett. 121, 160502 (2018).
Article CAS PubMed Google Scholar
Flühmann, C. et al. Encoding a qubit in a trapped-ion mechanical oscillator. Nature 566, 513–517 (2019).
de Neeve, B., Nguyen, T.-L., Behrle, T. & Home, J. P. Error correction of a logical grid state qubit by dissipative pumping. Nat. Phys. 18, 296–300 (2022).
Jia, Z. et al. Determination of multimode motional quantum states in a trapped ion system. Phys. Rev. Lett. 129, 103602 (2022).
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