3 papers
cond-mat.str-el2026
Finite-temperature Green's function cluster expansion from thermofield doubles: Breakdown of the polaron picture
M. R. Carbone, S. Fomichev, B. Kloss +4
We introduce a method, numerically exact in principle, for computing the momentum- and frequency-resolved single-particle Green's function of a polaron at finite temperature. The m…
cond-mat.str-el2025
Hamiltonian parameter inference from resonant inelastic x-ray scattering with active learning
Marton K. Lajer, Xin Dai, Kipton Barros +3
Identifying model Hamiltonians is a vital step toward creating predictive models of materials. Here, we combine Bayesian optimization with the EDRIXS numerical package to infer Ham…
cond-mat.mtrl-sci2025
OmniXAS: A Universal Deep-Learning Framework for Materials X-ray Absorption Spectra
Shubha R. Kharel, Fanchen Meng, Xiaohui Qu +2
X-ray absorption spectroscopy (XAS) is a powerful characterization technique for probing the local chemical environment of absorbing atoms. However, analyzing XAS data presents sig…