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Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials; however, at present they only permit ab initio calculations of a few atoms, due to a limited number of qubits.
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A variational eigenvalue solver on a photonic quantum processor
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State-selective intersystem crossing in nitrogen-vacancy centers
Goldman, M. L. et al · 2015
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Govoni, M. & Galli, G · 2015
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Optimization algorithm for the generation of ONCV pseudopotentials
Schlipf, M. & Gygi, F · 2015
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Wagner, L. K. & Ceperley, D. M · 2016
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Rubin, N. C · 2016
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Bauer, B., Wecker, D., Millis, A. J., Hastings, M. B. & Troyer, M · 2016
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A finite-field approach forGWCalculations beyond the random phase approximation
Ma, H., Govoni, M., Gygi, F. & Galli, G · 2018
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Ab initio description of highly correlated states in defects for realizing quantum bits
Bockstedte, M., Schütz, F., Garratt, T., Ivády, V. & Gali, A · 2018
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The role of defects and excess surface charges at finite temperature for optimizing oxide photoabsorbers
Gerosa, M., Gygi, F., Govoni, M. & Galli, G · 2018
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Determining eigenstates and thermal states on a quantum computer using quantum imaginary time evolution
Motta, M. et al · 2019
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Quantum equation of motion for computing molecular excitation energies on a noisy quantum processor
Ollitrault, P. J. et al · 2019
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Dynamical mean field theory algorithm and experiment on quantum computers
Rungger, I. et al · 2019
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Electronic structure of the neutral silicon-vacancy center in diamond
Green, B. L. et al · 2019
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The (eg ⊗ \otimes eu) ⊗ \otimes eg product jahn–teller effect in the neutral group-IV vacancy quantum bits in diamond
Thiering, G. & Gali, A · 2019
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Coherent control and high-fidelity readout of chromium ions in commercial silicon carbide
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Electrical and optical control of single spins integrated in scalable semiconductor devices
Anderson, C. P. et al · 2019
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Qiskit: An open-source framework for quantum computing (2019)
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Absolutely localized projection-based embedding for excited states
Wen, X., Graham, D. S., Chulhai, D. V. & Goodpaster, J. D · 2019
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Periodic electronic structure calculations with density matrix embedding theory
Pham, H. Q., Hermes, M. R. & Gagliardi, L · 2019
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Dynamical configuration interaction: Quantum embedding that combines wave functions and green’s functions
Dvorak, M. & Rinke, P · 2019
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Efficient formulation of ab initio quantum embedding in periodic systems: Dynamical mean-field theory
Zhu, T., Cui, Z.-H. & Chan, G. K.-L · 2019
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Efficient implementation of ab initio quantum embedding in periodic systems: Density matrix embedding theory
Cui, Z.-H., Zhu, T. & Chan, G. K.-L · 2019
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Finite-field approach to solving the bethe-salpeter equation
Nguyen, N. L., Ma, H., Govoni, M., Gygi, F. & Galli, G · 2019
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Error mitigation extends the computational reach of a noisy quantum processor
Kandala, A. et al · 2019
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Quantum algorithms for quantum chemistry and quantum materials science
Bauer, B., Bravyi, S., Motta, M. & Chan, G. K.-L · 2020
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