72 citations · 232 across the 17 of their papers we have counts for
3 papers · 1 filter
Surrogate models for quantum spin systems based on reduced order modeling
Michael F. Herbst, Stefan Wessel, Matteo Rizzi +1
We present a methodology to investigate phase-diagrams of quantum models based on the principle of the reduced basis method (RBM). The RBM is built from a few ground-state snapshot…
A robust and efficient line search for self-consistent field iterations
Michael F. Herbst, Antoine Levitt
We propose a novel adaptive damping algorithm for the self-consistent field (SCF) iterations of Kohn-Sham density-functional theory, using a backtracking line search to automatical…
Rotation Equivariant Operators for Machine Learning on Scalar and Vector Fields
Paul Shen, Michael Herbst, Venkat Viswanathan
We develop theory and software for rotation equivariant operators on scalar and vector fields, with diverse applications in simulation, optimization and machine learning. Rotation…