Bradford A. Barker and Arabi Seshappan and David A. Strubbe, "Computation of the expectation value of the spin operator S2 for the Spin-Flip Bethe-Salpeter Equation," Electron. Struct. 6, 027001 (2024). https://iopscience.iop.org/article/10.1088/2516-1075/ad48ed
John C. Thomas, Wei Chen, Yihuang Xiong, Bradford A. Barker, Junze Zhou, Weiru Chen, Antonio Rossi, Nolan Kelly, Zhuohang Yu, Da Zhou, Shalini Kumari, Edward S. Barnard, Joshua A. Robinson, Mauricio Terrones, Adam Schwartzberg, D. Frank Ogletree, Eli Rotenberg, Marcus M. Noack, Sinéad Griffin, Archana Raja, David A. Strubbe, Gian-Marco Rignanese, Alexander Weber-Bargioni, and Geoffroy Hautier, "A substitutional quantum defect in WS2 discovered by high-throughput computational screening and fabricated by site-selective STM manipulation," Nat. Commun. 15, 3556 (2024). https://doi.org/10.1038/s41467-024-47876-3
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
