Index Catalog // Research Data

Start Over Creator Yang, Weitao

Data from: Computed isotope shifts of high-frequency vibrational modes exceed thermal noise in propionate bound to a human olfactory receptor

Data Citation:

Williams J., Marszalek P., & Yang W. (2024). Data from: Computed isotope shifts of high-frequency vibrational modes exceed thermal noise in propionate bound to a human olfactory receptor. Duke Research Data Repository. https://doi.org/10.7924/r4ng4wb8d
Data and scripts from: Development of a machine-learning finite-range nonlocal density functional

Data Citation:

Chen, Z., & Yang, W. (2023). Data and scripts from: Development of a machine-learning finite-range nonlocal density functional. Duke Research Data Repository. https://doi.org/10.7924/r4fj2p230
Data from: Linear scaling calculations of excitation energies with active-space particle-particle random phase approximation

Data Citation:

Li, J., Yu, J., Zehua, C., & Yang, W. (2023). Data from: Linear scaling calculations of excitation energies with active-space particle-particle random phase approximation. Duke Research Data Repository. https://doi.org/10.7924/r4wm1g15c
sweep_virtual
sweep_gamma
main_data
Data and scripts from: Localized orbital scaling correction for periodic systems

Data Citation:

Mahler, A., Williams, J.Z., Su, N.Q., Yang, W. (2022): Data and scripts from: Localized orbital scaling correction for periodic systems. Duke Research Data Repository. https://doi.org/10.7924/r4s75hv98
Data from: Revisiting the Hole Size in Double Helical DNA with Localized Orbital Scaling Corrections

Data Citation:

Jin, Y., Ru, X., Su, N., Beratan, D., Zhang, P., & Yang, W. (2020). Data from: Revisiting the Hole Size in Double Helical DNA with Localized Orbital Scaling Corrections. Duke Research Data Repository. https://doi.org/10.7924/r4k072k9s