Chalmers University of Technology

Whole organization

Showing 8 publications

2023

Toward Accurate Post-Born-Oppenheimer Molecular Simulations on Quantum Computers: An Adaptive Variational Eigensolver with Nuclear-Electronic Frozen Natural Orbitals

Anton Nykänen, Aaron Miller, Walter Talarico et al
Journal of Chemical Theory and Computation (24), p. 9269-9277
Journal article
2023

Reference-State Error Mitigation: A Strategy for High Accuracy Quantum Computation of Chemistry

Phalgun Lolur, Mårten Skogh, Werner Barucha-Dobrautz et al
Journal of Chemical Theory and Computation (3), p. 783-789
Journal article
2023

The electron density: a fidelity witness for quantum computation

Mårten Skogh, Werner Barucha-Dobrautz, Phalgun Lolur et al
Chemical Science (6), p. 2257-2265
Journal article
2023

A quantum computing implementation of nuclearelectronic orbital (NEO) theory: Toward an exact pre-Born-Oppenheimer formulation of molecular quantum systems

Arseny Kovyrshin, Mårten Skogh, Anders Broo et al
Journal of Chemical Physics (21)
Journal article
2023

Accelerating variational quantum eigensolver convergence using parameter transfer

Mårten Skogh, Oskar Leinonen, Phalgun Lolur et al
Electronic Structure (3)
Journal article
2023

Nonadiabatic Nuclear-Electron Dynamics: A Quantum Computing Approach

Arseny Kovyrshin, Mårten Skogh, Lars Tornberg et al
Journal of Physical Chemistry Letters (31), p. 7065-7072
Journal article
2021

Benchmarking the variational quantum eigensolver through simulation of the ground state energy of prebiotic molecules on high-performance computers

Phalgun Lolur, Martin Rahm, Mårten Skogh et al
AIP Conference Proceedings
Paper in proceeding
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Publications for Chalmers University of Technology

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