Skip to content

Publications

Bradford A. Barker, Jack Deslippe, Johannes Lischner, Manish Jain, Oleg V. Yazyev, David A. Strubbe, and Steven G. Louie, "Spinor GW/Bethe-Salpeter calculations in BerkeleyGW: implementation, symmetries, benchmarking, and performance," Phys. Rev. B 106, 115127 (2022). https://doi.org/10.1103/PhysRevB.106.115127

Tim J. Zuehlsdorff, Sapana V. Shedge, Shao-Yu Lu, Hanbo Hong, Vincent P. Aguirre, Liang Shi, and Christine M. Isborn, "Vibronic and Environmental Effects in Simulations of Optical Spectroscopy," Annu. Rev. Phys. Chem. 72, 165 (2021), https://www.annualreviews.org/doi/abs/10.1146/annurev-physchem-090419-05...

Bowen Han, Christine M. Isborn, and Liang Shi, "Determining Partial Atomic Charges for Liquid Water: Assessing Electronic Structure and Charge Models," J. Chem. Theory Comput. 17, 889 (2021), https://pubs.acs.org/doi/full/10.1021/acs.jctc.0c01102

Tim J. Zuehlsdorff, Hanbo Hong, Liang Shi, and Christine M. Isborn, "Influence of Electronic Polarization on the Spectral Density," J. Phys. Chem. B 124, 531–543 (2020), https://pubs.acs.org/doi/full/10.1021/acs.jpcb.9b10250

 

Tim J. Zuehlsdorff, Hanbo Hong,  Liang Shi, and Christine M. Isborn, "Nonlinear spectroscopy in the condensed phase: The role of Duschinsky rotations and third order cumulant contributions," J. Chem. Phys. 153, 044127 (2020); https://doi.org/10.1063/5.0013739

 

Makenzie Provorse Long, Serra Alland, Madison E. Martin and Christine M. Isborn, "Molecular dynamics simulations of alkaline earth metal ions binding to DNA reveal ion size and hydration effects," Phys. Chem. Chem. Phys. 22, 5584-5596 (2020); https://doi.org/10.1039/C9CP06844A