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math.OC2026
An algorithm for dynamical quantum optimal transport with applications to quantum chemistry
Genevieve Dusson, Virginie Ehrlacher, Etienne Obermeyer
Quantum optimal transport (QOT) is a rapidly developing field. Among the many formulations of this adaptation of classical optimal transport (OT) to spaces of density matrices, we…
math.OC2024
Comparison between tensor methods and neural networks in electronic structure calculations
Mathias Dus, Geneviève Dusson, Virginie Ehrlacher +2
This article compares the tensor method density matrix renormalization group (DMRG) with two neural network based methods -namely FermiNet and PauliNet) for determining the ground…