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most citedFine-tuning of universal machine-learning interatomic potentials for high-entropy alloys with application to 2D (Mo,Ta,Nb,W,V)S

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physics.comp-ph2024

Raman spectra of amino acids and peptides from machine learning polarizabilities

Ethan Berger, Juha Niemelä, Outi Lampela +2

Raman spectroscopy is an important tool in the study of vibrational properties and composition of molecules, peptides and even proteins. Raman spectra can be simulated based on the…