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physics.comp-ph2024★ 1 cited
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…
physics.comp-ph2022
Raman Spectra of Titanium Carbide MXene from Machine-Learning Force Field Molecular Dynamics
Ethan Berger, Zhong-Peng Lv, Hannu-Pekka Komsa
MXenes represent one of the largest class of 2D materials with promising applications in many fields and their properties tunable by the surface group composition. Raman spectrosco…