An interior-point method is introduced to compute dynamical quantum optimal transport geodesics on density matrices, shown to approximate some quantum chemistry problems after parameter tuning.
On the Matrix Monge-Kantorovich Problem
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abstract
The classical Monge-Kantorovich (MK) problem as originally posed is concerned with how best to move a pile of soil or rubble to an excavation or fill with the least amount of work relative to some cost function. When the cost is given by the square of the Euclidean distance, one can define a metric on densities called the "Wasserstein distance." In this note, we formulate a natural matrix counterpart of the MK problem for positive definite density matrices. We prove a number of results about this metric including showing that it can be formulated as a convex optimization problem, strong duality, an analogue of the Poincare-Wirtinger inequality, and a Lax-Hopf-Oleinik type result.
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math.OC 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
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An algorithm for dynamical quantum optimal transport with applications to quantum chemistry
An interior-point method is introduced to compute dynamical quantum optimal transport geodesics on density matrices, shown to approximate some quantum chemistry problems after parameter tuning.