Stephan P. A. Sauer

Stephan P. A. Sauer

Professor

ORCID: 0000-0003-4812-0522

Publication year:
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1 - 10 out of 263Page size: 10
  1. 2024
  2. Accepted/In press

    Divergences in classical and quantum linear response and equation of motion formulations

    Kjellgren, E. R., Reinholdt, P., Ziems, K. M., Sauer, Stephan P. A., Coriani, S. & Kongsted, J., 9 Sep 2024, (Accepted/In press) In: The Journal of Chemical Physics.

    Research output: Contribution to journal › Journal article › Research › peer-review

  3. Published

    Understanding and mitigating noise in molecular quantum linear response for spectroscopic properties on quantum computers

    Ziems, K. M., Kjellgren, E. R., Sauer, Stephan P. A., Kongsted, J. & Coriani, S., 17 Aug 2024, arxiv.org, 33 p.

    Research output: Working paper › Preprint › Research

  4. Published

    Electric Field Gradient Calculations for Ice VIII and IX using Polarizable Embedding: A Comparative Study on Classical Computers and Quantum Simulators

    Nagy, D., Reinholdt, P., Jensen, Phillip Wagner Kastberg, Kjellgren, E. R., Ziems, K. M., Fitzpatrick, A., Knecht, S., Kongsted, J., Coriani, S. & Sauer, Stephan P. A., 17 Jul 2024, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 128, 30, p. 6305-6315 11 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  5. Published

    Divergences in classical and quantum linear response and equation of motion formulations

    Kjellgren, E. R., Reinholdt, P., Ziems, K. M., Sauer, Stephan P. A., Coriani, S. & Kongsted, J., 24 Jun 2024, arxiv.org, 23 p.

    Research output: Working paper › Preprint › Research

  6. Published

    Subspace methods for the simulation of molecular response properties on a quantum computer

    Reinholdt, P., Kjellgren, E. R., Fuglsbjerg, Juliane Holst, Ziems, K. M., Coriani, S., Sauer, Stephan P. A. & Kongsted, J., 1 May 2024, In: Journal of Chemical Theory and Computation. 20, 9, p. 3729-3740 12 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  7. Published

    The variational quantum eigensolver self-consistent field method within a polarizable embedded framework

    Kjellgren, E. R., Reinholdt, P., Fitzpatrick, A., Talarico, W. N., Jensen, Phillip Wagner Kastberg, Sauer, Stephan P. A., Coriani, S., Knecht, S. & Kongsted, J., 27 Mar 2024, In: The Journal of Chemical Physics. 160, 8 p., 124114.

    Research output: Contribution to journal › Journal article › Research › peer-review

  8. Published

    Subspace methods for the simulation of molecular response properties on a quantum computer

    Reinholdt, P., Kjellgren, E. R., Fuglsbjerg, Juliane Holst, Ziems, K. M., Coriani, S., Sauer, Stephan P. A. & Kongsted, J., 19 Feb 2024, arxiv.org, 35 p.

    Research output: Working paper › Preprint › Research

  9. Published

    On the performance of HRPA(D) for NMR spin-spin coupling constants: Smaller molecules, aromatic and fluoroaromatic compounds

    Jessen, L. M. & Sauer, Stephan P. A., 8 Feb 2024, In: The Journal of Chemical Physics. 160, 6, 16 p., 064102.

    Research output: Contribution to journal › Journal article › Research › peer-review

  10. Published

    Exploring Alternate Methods for Calculation of High-Level Vibrational Corrections of NMR Spin-Spin Coupling Constants

    Gleeson, R., Aggelund, P. A., Østergaard, F. C., Schaltz, K. F. & Sauer, Stephan P. A., 1 Feb 2024, In: Journal of Chemical Theory and Computation. 20, 3, p. 1228–1243 16 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  11. Published

    Capturing Mercury-197m/g for Auger Electron Therapy and Cancer Theranostic with Sulfur-Containing Cyclen-Based Macrocycles

    Tosato, M., Randhawa, P., Asti, M., Hemmingsen, Lars Bo Stegeager, O'Shea, C. A., Thaveenrasingam, P., Sauer, Stephan P. A., Chen, S., Graiff, C., Menegazzo, I., Baron, M., Radchenko, V., Ramogida, C. F. & Di Marco, V., 2024, In: Inorganic Chemistry. 63, 30, p. 14241-14255 15 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

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ID: 9770