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quant-ph2026
A Practical Introduction to VQE: Methods, Challenges, and Applications in Physics and Chemistry
Jannis Ehrlich, Felix Rupprecht, Konstantin Lamp +6
The Variational Quantum Eigensolver (VQE) has become a central hybrid quantum-classical method for addressing electronic structure and materials science problems on near-term quant…
quant-ph2026
Molecular Dynamics with Nuclear Effects on Quantum Computers
Lukas Haßfurth, Juliane Heitkämper, Elias Walter +1
Nuclear quantum effects are critical for describing proton transfer and hydrogen bonding, but their incorporation into quantum chemistry calculations is often computationally prohi…
quant-ph2026
Optimizing Subspace Expansion in Quantum Chemistry through Operator Selection and Reference State Choice
Konstantin Lamp, Alejandro D. Somoza, Elias Walter +4
The Virtual Quantum Subspace Expansion (VQSE) extends the Variational Quantum Eigensolver (VQE) by leveraging additional measurements on the reference state to capture the influenc…