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20242026
most citedSimultaneously optimizing symmetry shifts and tensor factorizations for cost-efficient Fault-Tolerant Quantum Simulations of electronic Hamiltonians

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

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physics.chem-ph2026

BCover: An Electronic Structure-Based Scoring Suite for Reaction-Aware Covalent Docking

Emil Zak, Michał Szczepanik

Covalent virtual screening requires ranking compounds according to both noncovalent recognition and their ability to adopt a reaction-competent geometry with an appropriately react…

physics.chem-ph2026

CovAngelo: A hybrid quantum-classical computing platform for accurate and scalable drug discovery

Linn Evenseth, Kamil Galewski, Witold Jarnicki +6

We present a computational platform for modeling chemical reactions in complex molecular environments, focused on ligand-protein binding in drug discovery. The platform implements…