Jie J Bao

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 13

Top Topics

Pseudomonas Aeruginosa

Density Functional Theory

Electron Transfer

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry. A

The journal of physical chemistry letters

Faraday discussions

This page only lists publications with an associated author ORCID identifier.

Publications

Paul B Calio, Matthew R Hermes, Jie J Bao, Ignacio Fdez Galván, Roland Lindh, Donald G Truhlar, Soumen Ghosh
Minimum-Energy Conical Intersections by Compressed Multistate Pair-Density Functional Theory. The journal of physical chemistry. A 128 (9) (2024)
Paul B Calio, Matthew R Hermes, Jie J Bao, Ignacio Fdez Galván, Roland Lindh, Donald G Truhlar, Soumen Ghosh
Minimum-Energy Conical Intersections by Compressed Multistate Pair-Density Functional Theory. The journal of physical chemistry. A (2024)
Giovanni Li Manni, Ignacio Fdez Galván, Ali Alavi, Flavia Aleotti, Francesco Aquilante, Jochen Autschbach, Davide Avagliano, Alberto Baiardi, Jie J Bao, Stefano Battaglia, Letitia Birnoschi, Alejandro Blanco-González, Sergey I Bokarev, Ria Broer, Roberto Cacciari, Paul B Calio, Rebecca K Carlson, Rafael C Couto, Luis Cerdán, Liviu F Chibotaru, Nicholas F Chilton, Jonathan Richard Church, Irene Conti, Sonia Coriani, Juliana Cuéllar-Zuquin, Razan E Daoud, Nike Dattani, Piero Decleva, Coen de Graaf, Mickaël G Delcey, Luca De Vico, Werner Dobrautz, Sijia S Dong, Rulin Feng, Nicolas Ferré, Michael Filatov Gulak, Soumen Ghosh, Marco Garavelli, Leticia González, Yafu Guan, Meiyuan Guo, Matthew R Hennefarth, Matthew R Hermes, Chad E Hoyer, Miquel Huix-Rotllant, Vishal Kumar Jaiswal, Andy Kaiser, Danil S Kaliakin, Marjan Khamesian, Daniel S King, Vladislav Kochetov, Marek Krośnicki, Arpit Arun Kumaar, Ernst Dennis Larsson, Susi Lehtola, Marie-Bernadette Lepetit, Hans Lischka, Pablo López Ríos, Marcus Lundberg, Dongxia Ma, Sebastian Mai, Philipp Marquetand, Isabella C D Merritt, Francesco Montorsi, Maximilian Mörchen, Artur Nenov, Vu Ha Anh Nguyen, Yoshio Nishimoto, Meagan S Oakley, Massimo Olivucci, Markus Oppel, Daniele Padula, Riddhish Pandharkar, Quan Manh Phung, Felix Plasser, Gerardo Raggi, Elisa Rebolini, Markus Reiher, Ivan Rivalta, Daniel Roca-Sanjuán, Thies Romig, Arta Anushirwan Safari, Aitor Sánchez-Mansilla, Andrew M Sand, Igor Schapiro, Thais R Scott, Javier Segarra-Marti, Francesco Segatta, Dumitru-Claudiu Sergentu, Prachi Sharma, Ron Shepard, Yinan Shu, Jakob K Staab, Tjerk P Straatsma, Lasse Kragh Sørensen, Bruno Nunes Cabral Tenorio, Donald G Truhlar, Liviu Ungur, Morgane Vacher, Valera Veryazov, Torben Arne Voß, Oskar Weser, Dihua Wu, Xuchun Yang, David R Yarkony, Chen Zhou, J Patrick Zobel, Roland Lindh
The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry. Journal of chemical theory and computation (2023)
Dihua Wu, Chen Zhou, Jie J Bao, Soumen Ghosh, Donald G Truhlar
Zero-Field Splitting Calculations by Multiconfiguration Pair-Density Functional Theory. Journal of chemical theory and computation 18 (4) (2022)
Erica C Mitchell, Thais R Scott, Jie J Bao, Donald G Truhlar
Application of Multiconfiguration Pair-Density Functional Theory to the Diels-Alder Reaction. The journal of physical chemistry. A 126 (47) (2022)
Chen Zhou, Matthew R Hermes, Dihua Wu, Jie J Bao, Riddhish Pandharkar, Daniel R King, Dayou Zhang, Thais R Scott, Aleksandr O Lykhin, Laura Gagliardi, Donald G Truhlar
Electronic structure of strongly correlated systems: recent developments in multiconfiguration pair-density functional theory and multiconfiguration nonclassical-energy functional theory. Chemical science 13 (26) (2022)
Jie J Bao, Chen Zhou, Donald G Truhlar
Compressed-State Multistate Pair-Density Functional Theory. Journal of chemical theory and computation 16 (12) (2020)
Jie J Bao, Chen Zhou, Zoltan Varga, Siriluk Kanchanakungwankul, Soumen Ghosh, Donald G Truhlar
Multi-state pair-density functional theory. Faraday discussions (2020)
Ignacio Fdez Galván, Morgane Vacher, Ali Alavi, Celestino Angeli, Francesco Aquilante, Jochen Autschbach, Jie J Bao, Sergey I Bokarev, Nikolay A Bogdanov, Rebecca K Carlson, Liviu F Chibotaru, Joel Creutzberg, Nike Dattani, Mickaël G Delcey, Sijia S Dong, Andreas Dreuw, Leon Freitag, Luis Manuel Frutos, Soumen Ghosh, Frédéric Gendron, Angelo Giussani, Leticia González, Gilbert Grell, Meiyuan Guo, Chad E Hoyer, Marcus Johansson, Sebastian Keller, Stefan Knecht, Goran Kovačević, Erik Källman, Giovanni Li Manni, Marcus Lundberg, Yingjin Ma, Sebastian Mai, João Pedro Malhado, Per Åke Malmqvist, Philipp Marquetand, Stefanie A Mewes, Jesper Norell, Massimo Olivucci, Markus Oppel, Quan Manh Phung, Kristine Pierloot, Felix Plasser, Markus Reiher, Andrew M Sand, Igor Schapiro, Prachi Sharma, Christopher J Stein, Lasse Kragh Sørensen, Donald G Truhlar, Mihkel Ugandi, Liviu Ungur, Alessio Valentini, Steven Vancoillie, Valera Veryazov, Oskar Weser, Tomasz Adam Wesołowski, Per-Olof Widmark, Sebastian Wouters, Alexander Zech, J Patrick Zobel, Roland Lindh
OpenMolcas: From Source Code to Insight. Journal of chemical theory and computation 15 (11) (2019)
Jie J Bao, Donald G Truhlar
Automatic Active Space Selection for Calculating Electronic Excitation Energies Based on High-Spin Unrestricted Hartree-Fock Orbitals. Journal of chemical theory and computation 15 (10) (2019)
Jie J Bao, Soumen Ghosh, Donald G Truhlar
Weak Interactions in Alkaline Earth Metal Dimers by Pair-Density Functional Theory. The journal of physical chemistry letters 10 (4) (2019)
Jie J Bao, Sijia S Dong, Soumen Ghosh, Donald G Truhlar
Automatic Selection of an Active Space for Calculating Electronic Excitation Spectra by MS-CASPT2 or MC-PDFT. Journal of chemical theory and computation 14 (4) (2018)
Meagan S Oakley, Jie J Bao, Mariusz Klobukowski, Donald G Truhlar, Soumen Ghosh
Multireference Methods for Calculating the Dissociation Enthalpy of Tetrahedral P4 to Two P2. The journal of physical chemistry. A 122 (26) (2018)