/ML-quantum-vibrational-spectroscopy

Dipole and polarizability models developed using the approach Kapil, V., Kovács, D. P., Csányi, G., & Michaelides, A. (2023). First-principles spectroscopy of aqueous interfaces using machine-learned electronic and quantum nuclear effects. Faraday Discussions, 10.1039.D3FD00113J. https://doi.org/10.1039/D3FD00113J

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