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cond-mat.mtrl-sci2026
Long-Range Machine Learning of Electron Density for Twisted Bilayer Moiré Materials
Zekun Lou, Alan M. Lewis, Mariana Rossi
Moiré superlattices in two-dimensional (2D) materials exhibit rich quantum phenomena, but ab initio modelling of these systems remains computationally prohibitive. Existing machin…
cond-mat.mtrl-sci2026
Investigating Anharmonicities in Polarization-Orientation Raman Spectra of Acene Crystals with Machine Learning
Paolo Lazzaroni, Shubham Sharma, Mariana Rossi
We present a first-principles machine-learning computational framework to investigate anharmonic effects in polarization-orientation (PO) Raman spectra of molecular crystals, focus…