4 citations · 4 across the 1 of their papers we have counts for
2 papers
physics.chem-ph2021★ 4 cited
Efficient Quantum Vibrational Spectroscopy of Water with High-Order Path Integrals: from Bulk to Interfaces
Sam Shepherd, Jinggang Lan, David M. Wilkins +1
Vibrational spectroscopy is key for probing the interplay between the structure and dynamics of aqueous systems. In order to map different regions of experimental spectra to the mi…
physics.chem-ph2019
Inexpensive modelling of quantum dynamics using path integral generalized Langevin equation thermostats
Venkat Kapil, David M. Wilkins, Jinggang Lan +1
The properties of molecules and materials containing light nuclei are affected by their quantum mechanical nature. Modelling these quantum nuclear effects accurately requires compu…