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20202026
most citedHigh-Dimensional Neural Network Potentials for Magnetic Systems Using Spin-Dependent Atom-Centered Symmetry Functions

93 citations · 363 across the 16 of their papers we have counts for

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quant-ph2026★ 1 cited

QDK/Chemistry: A Modular Toolkit for Quantum Chemistry Applications

Nathan A. Baker, Brian Bilodeau, Chi Chen +23

We present QDK/Chemistry, a software toolkit for quantum chemistry workflows targeting quantum computers. The toolkit addresses a key challenge in the field: while quantum algorith…

quant-ph2025★ 3 cited

How to use quantum computers for biomolecular free energies

Jakob Günther, Thomas Weymuth, Moritz Bensberg +18

Free energy calculations are at the heart of physics-based analyses of biochemical processes. They allow us to quantify molecular recognition mechanisms, which determine a wide ran…