2 papers
physics.comp-ph2025
Benchmarking Universal Machine Learning Interatomic Potentials for Real-Time Analysis of Inelastic Neutron Scattering Data
Bowen Han, Yongqiang Cheng
The accurate calculation of phonons and vibrational spectra remains a significant challenge, requiring highly precise evaluations of interatomic forces. Traditional methods based o…
physics.chem-ph2025
Real-time interpretation of neutron vibrational spectra with symmetry-equivariant Hessian matrix prediction
Bowen Han, Pei Zhang, Kshitij Mehta +3
The vibrational behavior of molecules serves as a crucial fingerprint of their structure, chemical state, and surrounding environment. Neutron vibrational spectroscopy provides com…