25 citations · 71 across the 15 of their papers we have counts for
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Variational Quantum Subspace Construction via Symmetry-Preserving Cost Functions
Hamzat A. Akande, Alexandre Perrin, Bruno Senjean +1
Determining low-energy eigenstates in electronic many-body quantum systems is a key challenge in computational chemistry and condensed-matter physics. Hybrid quantum-classical appr…
Designing Strain-less Electrode Materials: Computational Analysis of Volume Variations in Li-ion and Na-ion Batteries
Maxime Maréchal, Romain Berthelot, Patrick Rozier +1
Mechanical degradation in electrode materials during successive electrochemical cycling is critical for battery lifetime and aging properties. A common strategy to mitigate electro…
Variational minimization scheme for the one-particle reduced density matrix functional theory in the ensemble N-representability domain
Matthieu Vladaj, Quentin Marécat, Bruno Senjean +1
The one-particle reduced density-matrix (1-RDM) functional theory is a promising alternative to density-functional theory (DFT) that uses the 1-RDM rather than the electronic densi…