Towards Discovery in Chemistry with Quantum Computers III

Presentations

• Exploiting non-orthogonality in quantum algorithms for calculations of molecular electronic states

  ORAL · Invited

  March 15, 2022, 9:00 AM – March 15, 2022, 9:36 AM

  Presenters

  • Birgitta Whaley

    University of California, Berkeley

  Authors

  • Birgitta Whaley

    University of California, Berkeley

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• State preparation and evolution in quantum computing: a perspective from Hamiltonian moments.

  ORAL

  March 15, 2022, 9:36 AM – March 15, 2022, 9:48 AM

  Publication: arXiv:2109.12790

  Presenters

  • Bo Peng

    Pacific Northwest National Laboratory

  Authors

  • Bo Peng

    Pacific Northwest National Laboratory

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• Fast state preparation for molecular simulation by direct pulse optimization: ctrl-VQE

  ORAL

  March 15, 2022, 9:48 AM – March 15, 2022, 10:00 AM

  Publication: 10.1038/s41534-021-00493-0

  Presenters

  • Nicholas Mayhall

    Virginia Tech

  Authors

  • Nicholas Mayhall

    Virginia Tech

  • Oinam R Meitei

    Virginia Tech

  • David Pappas

    National Institute of Standards and Technology Boulder, Rigetti Computing

  • Bryan T Gard

    Virginia Tech

  • George S Barron

    Virginia Tech

  • Edwin Barnes

    Virginia Tech

  • Sophia E Economou

    Virginia Tech

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• Leakage reduces device coherence demands for molecular simulations with pulse-level VQE

  ORAL

  March 15, 2022, 10:00 AM – March 15, 2022, 10:12 AM

  Presenters

  • Ayush Asthana

    Virginia Tech

  Authors

  • Ayush Asthana

    Virginia Tech

  • Sophia Economou

    Virginia Tech

  • Edwin Barnes

    Virginia Tech

  • Nicholas Mayhall

    Virginia Tech

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• Dynamical Quantum Algorithms For Chemistry and Materials

  ORAL · Invited

  March 15, 2022, 10:12 AM – March 15, 2022, 10:48 AM

  Presenters

  • Nathan Fitzpatrick

    Cambridge Quantum Computing

  Authors

  • Nathan Fitzpatrick

    Cambridge Quantum Computing

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• Multiscale Electronic Structure Calculations via Projection Based Quantum Embedding

  ORAL

  March 15, 2022, 10:48 AM – March 15, 2022, 11:00 AM

  Presenters

  • Alexis P Ralli

    University College London

  Authors

  • Alexis P Ralli

    University College London

  • Peter V Coveney

    University College London, University of Amsterdam

  • Michael Williams

    University College London

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• Symmetry-adapted factorized unitary coupled cluster ansatz for quantum computer

  ORAL

  March 15, 2022, 11:00 AM – March 15, 2022, 11:12 AM

  Presenters

  • Avijit Shee

    University of Michigan

  Authors

  • Avijit Shee

    University of Michigan

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• Unitary Selective Coupled Cluster Method

  ORAL

  March 15, 2022, 11:12 AM – March 15, 2022, 11:24 AM

  Presenters

  • Dmitry A Fedorov

    Argonne National Laboratory, Oak Ridge Associated Universities

  Authors

  • Dmitry A Fedorov

    Argonne National Laboratory, Oak Ridge Associated Universities

  • Yuri Alexeev

    Argonne National Laboratory

  • Stephen K Gray

    Argonne National Laboratory

  • Matthew Otten

    HRL Laboratories, LLC

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• DMRG-based methods for large-scale applications in strongly correlated quantum chemistry

  ORAL · Invited

  March 15, 2022, 11:24 AM – March 15, 2022, 12:00 PM

  Publication: J.Brabec, J.Brandejs, Ö.Legeza, K.Kowalski, S.Xanteas, L.Veis, J.Comp.Chem. 42, 534 (2021).<br>L. Veis, A. Antalík, J. Brabec, F. Neese, Ö. Legeza, J. Pittner, J. Phys. Chem. Lett. 7, 4072 (2016).<br>P. Beram, M. Matousek, M. Hapka, K. Pernal, L. Veis, J. Chem. Theory Comput. (2021), arXiv:2108.12803.<br>N. P. Bauman, J. Chládek, L. Veis, J. Pittner, K. Kowalski, Quantum Sci. Technol. 6, 034008 (2021).

  Presenters

  • Libor Veis

    J. Heyrovský Institute of Physical Chemistry, Czech Republic

  Authors

  • Libor Veis

    J. Heyrovský Institute of Physical Chemistry, Czech Republic

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