2025/04/22 by B. Shanks, Harry W. Sullivan, Pavel Jungwirth +1 · 1 voice · 1 citation
Engineering · Physics and Astronomy · #Phase Equilibria and Thermodynamics #Quantum, superfluid, helium dynamics #Spectroscopy and Quantum Chemical Studies
paper · doi:10.1063/5.0260274
openalex publication_date 2025/04/22 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
The first experimental evidence of quantum Drude oscillator behavior in liquids is uncovered using probabilistic machine learning-augmented iterative Boltzmann inversion applied to noble gas radial distribution functions. Furthermore, classical force fields for noble gases are shown to be reduced to a single parameter through simple empirical relations linked to atomic dipole polarizability. These findings highlight how neutron scattering data can inspire innovative force field design and offer insight into interatomic forces to advance molecular simulations.