3 papers
math.OC2026
A Damped Subspace Splitting Algorithm for Constrained Density Functional Theory
Yuanming Su, Yukuan Hu, Xin Liu +1
Constrained density functional theory (CDFT) provides a powerful framework for describing electronically excited and charge-localized states, which underlie a broad range of physic…
math.NA2025
Lower Bound on the Representation Complexity of Antisymmetric Tensor Product Functions
Yuyang Wang, Yukuan Hu, Xin Liu
Tensor product function (TPF) approximations have been widely adopted in solving high-dimensional problems, such as partial differential equations and eigenvalue problems, achievin…
physics.comp-ph2024
Projected gradient descent algorithm for crystal structure relaxation under a fixed unit cell volume
Yukuan Hu, Junlei Yin, Xingyu Gao +2
This paper is concerned with crystal structure relaxation under a fixed unit cell volume, which is a step in calculating the static equations of state and form…