Author

Elias Walter

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Preprint Oct 2026

Molecular Dynamics with Nuclear Effects on Quantum Computers

Nuclear quantum effects are critical for describing proton transfer and hydrogen bonding, but their incorporation into quantum chemistry calculations is often computationally prohibitive on classical hardware. A promising alternative are quantum computers due to their linear scaling in the space requirements with syste...

Lukas Haßfurth, Juliane Heitkämper, Elias Walter et al. · 0 citations

Preprint Aug 2026

Optimizing Subspace Expansion in Quantum Chemistry through Operator Selection and Reference State Choice

The Virtual Quantum Subspace Expansion (VQSE) extends the Variational Quantum Eigensolver (VQE) by leveraging additional measurements on the reference state to capture the influence of excluded virtual orbitals. This makes VQSE attractive for chemical applications where accurate energy differences along potential energ...

Konstantin Lamp, Alejandro D. Somoza, Elias Walter et al. · 0 citations