Our niche here is to approach quantum computing from the chemistry side. Rather than developing quantum algorithms in general, we ask what chemical knowledge can contribute. For example, using well-chosen reference states to mitigate hardware errors, or developing electronic structure analyses as tests of computational accuracy. This work is carried out in close collaboration with quantum technology experts within the Wallenberg Centre for Quantum Technology (WACQT), where a superconducting quantum computer is being built at Chalmers. WACQT is a national research program that aims to take Swedish research and industry to the forefront of quantum technology. At Chalmers, the focus is to build a superconducting quantum computer and simulator and to explore useful applications of quantum computing. 

Research Highlights:

• Multireference error mitigation for quantum computation of chemistry
  Hang Zou, Erika Magnusson, Hampus Brunander, Werner Dobrautz, Martin Rahm
  Digital Discovery, 4, 2521 – 2533, 2025
• The Electron Density: A Fidelity Witness for Quantum Computation
  M. Skogh, W. Dobrautz, P. Lolur, C. Warren, J. Biznárová, A. Osman, G. Tancredi, J. Bylander, M. Rahm
  Chem. Sci., 15, 2257-2265, 2024
• Towards Real Chemical Accuracy on Current Quantum Hardware Through the Transcorrelated Method
  W. Dobrautz, I. O. Sokolov, K. Liao, P. López Ríos, M. Rahm, A. Alavi, I. Tavernelli
  J. Chem. Theory Comput. 20, 4146–4160, 2024
• Towards Efficient Quantum Computing for Quantum Chemistry: Reducing Circuit Complexity with Transcorrelated and Adaptive Ansatz Techniques
  E. Magnusson, A. Fitzpatrick, S. Knecht, M. Rahm, W. Dobrautz,
  Faraday Discuss., 254, 402–428, 2024
• Reference-State Error Mitigation: A Strategy for High Accuracy Quantum Computation of Chemistry
  P. Lolur, M. Skogh, W. Dobrautz, C. Warren, J. Biznárová, A. Osman, G. Tancredi, G. Wendin, J. Bylander, M. Rahm
  J. Chem. Theory Comput. 19, 783–789, 2023