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most citedFully numerical Hartree-Fock calculations for atoms and small molecules with quantics tensor trains

3 citations · 3 across the 5 of their papers we have counts for

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quant-ph2025

Exploring Quantum Annealing for Coarse-Grained Protein Folding

Timon Scheiber, Matthias Heller, Andreas Giebel

We explore the potential application of quantum annealing to address the protein structure problem. To this end, we compare several proposed ab initio protein folding models for qu…

physics.chem-ph2025★ 3 cited

Fully numerical Hartree-Fock calculations for atoms and small molecules with quantics tensor trains

Paul Haubenwallner, Matthias Heller

We present a fully numerical framework for the optimization of molecule-specific quantum chemical basis functions within the quantics tensor train format using a finite-difference…