Bio
We haven't found any bio for you yet.
Researcher Links
Loading links...
Publications by Type
Loading publications…
The last 5 uploaded publications
Electronic structure of strongly correlated systems: recent developments in multiconfiguration pair-density functional theory and multiconfiguration nonclassical-energy functional theory
Chen Zhou, Matthew R. Hermes, Dihua Wu, Jie J. Bao, Riddhish Pandharkar, Daniel S. King, Dayou Zhang, Thais R. Scott, Aleksandr O. Lykhin, Laura Gagliardi, Donald G Truhlar (2022). Electronic structure of strongly correlated systems: recent developments in multiconfiguration pair-density functional theory and multiconfiguration nonclassical-energy functional theory. , 13(26), DOI: https://doi.org/10.1039/d2sc01022d.
Article69 days agogeometries and output files for CMS-PDFT gradient paper
Jie J. Bao, Matthew R. Hermes, Thais R. Scott, Andrew M. Sand, Roland Lindh, Laura Gagliardi, Donald G Truhlargeometries and output files for CMS-PDFT gradient paper. , DOI: https://doi.org/10.5281/zenodo.6596227.
Dataset69 days agogeometries and output files for CMS-PDFT gradient paper
Jie J. Bao, Matthew R. Hermes, Thais R. Scott, Andrew M. Sand, Roland Lindh, Laura Gagliardi, Donald G Truhlargeometries and output files for CMS-PDFT gradient paper. , DOI: https://doi.org/10.5281/zenodo.6596226.
Dataset69 days agoApplication of Multiconfiguration Pair-Density Functional Theory to the Diels–Alder Reaction
Erica C. Mitchell, Thais R. Scott, Jie J. Bao, Donald G Truhlar (2022). Application of Multiconfiguration Pair-Density Functional Theory to the Diels–Alder Reaction. , 126(47), DOI: https://doi.org/10.1021/acs.jpca.2c06433.
Article69 days agoAnalytic gradients for compressed multistate pair-density functional theory
Jie J. Bao, Matthew R. Hermes, Thais R. Scott, Andrew M. Sand, Roland Lindh, Laura Gagliardi, Donald G Truhlar (2022). Analytic gradients for compressed multistate pair-density functional theory. , 120(19-20), DOI: https://doi.org/10.1080/00268976.2022.2110534.
Article69 days ago