4 papers
Riemannian Multilevel Optimization with Application to Constrained Energy Minimization Problems
Yara Elshiaty, Stefania Petra, Jonas Püschel +2
Multilevel optimization methods are highly effective for discretized energy minimization problems, but their Euclidean formulation does not directly apply to manifold constraints.…
Energy-Adaptive Riemannian Conjugate Gradient Method for Density Functional Theory
Daniel Peterseim, Jonas Püschel, Tatjana Stykel
This paper presents a novel Riemannian conjugate gradient method for the Kohn-Sham energy minimization problem in density functional theory (DFT), with a focus on non-metallic crys…
Riemannian optimisation methods for ground states of multicomponent Bose-Einstein condensates
R. Altmann, M. Hermann, D. Peterseim +1
This paper addresses the computation of ground states of multicomponent Bose-Einstein condensates, defined as the global minimiser of an energy functional on an infinite-dimensiona…
Symplectic Stiefel manifold: tractable metrics, second-order geometry and Newton's methods
Bin Gao, Nguyen Thanh Son, Tatjana Stykel
Optimization under the symplecticity constraint is an approach for solving various problems in quantum physics and scientific computing. Building on the results that this optimizat…