In this paper, the history, present status, and future of density-functional theory (DFT) is
informally reviewed and discussed by 70 workers in the field, including molecular scientists …

While in principle exact, Kohn–Sham density functional theory—the workhorse of
computational chemistry—must rely on approximations for the exchange–correlation …

In this introductory chapter we first give a brief historical review of optimal transport, then we
recall some basic definitions and facts from measure theory and Riemannian geometry, and …

The aim of this note is to give an elementary proof of linear convergence of the Sinkhorn
algorithm for the entropic regularization of multimarginal optimal transport in the setting of …

Geometric methods rely on tensors that can be encoded using a symbolic formula and data
arrays, such as kernel and distance matrices. We present an extension for standard machine …

This is a comprehensive review of the strong-interaction limit of density functional theory. It
covers the derivation of the limiting strictly correlated electrons (SCE) functional from exact …

Abstract Multimarginal Optimal Transport (MOT) is the problem of linear programming over
joint probability distributions with fixed marginals. A key issue in many applications is the …

Optimal transportation, modelling and numerical simulation Optimal transportation, modelling
and numerical simulation Abstract We present an overviewof the basic theory, modern optimal …

Solving linear programs by using entropic penalization has recently attracted new interest in
the optimization community, since this strategy forms the basis for the fastest-known …

We prove rigorously that the exact N-electron Hohenberg–Kohn density functional
converges in the strongly interacting limit to the strictly correlated electrons (SCE) functional …