2 papers
cond-mat.mtrl-sci2025
Structural Optimization in Tensor LEED Using a Parameter Tree and -Factor Gradients
Alexander M. Imre, Paul Haidegger, Florian Kraushofer +10
Quantitative low-energy electron diffraction [LEED ] is a powerful method for surface-structure determination, based on a direct comparison of experimentally observed …
physics.comp-ph2025
msmJAX: Fast and Differentiable Electrostatics on the GPU in Python
Florian Buchner, Johannes Schörghuber, Nico Unglert +2
We present msmJAX, a Python package implementing the multilevel summation method with B-spline interpolation, a linear-scaling algorithm for efficiently evaluating electrostatic an…