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quant-ph2026
Paying attention to long-range electron correlation: a size-independent deep-learning approach to predicting molecules' electronic energies from one- and two-electron integrals
Valerii Chuiko, Giovanni B. Da Rosa, Paul W. Ayers
We propose a descriptor for molecular electronic structure that is based solely on the one- and two-electron integrals but is translationally, rotationally, and unitarily invariant…
quant-ph2025
Optimizing and benchmarking the computation of the permanent of general matrices
Cassandra Masschelein, Michelle Richer, Paul W. Ayers
Evaluating the permanent of a matrix is a fundamental computation that emerges in many domains, including traditional fields like computational complexity theory, graph theory, man…