J
Jie J. Bao
Researcher at University of Minnesota
Publications - 23
Citations - 1753
Jie J. Bao is an academic researcher from University of Minnesota. The author has contributed to research in topics: Density functional theory & Complete active space. The author has an hindex of 11, co-authored 19 publications receiving 1227 citations. Previous affiliations of Jie J. Bao include Nankai University.
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Journal ArticleDOI
OpenMolcas : From Source Code to Insight
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,Joel Creutzberg,Nikesh S. Dattani,Mickaël G. Delcey,Sijia S. Dong,Andreas Dreuw,Leon Freitag,Luis Manuel Frutos,Laura Gagliardi,Frédéric Gendron,Angelo Giussani,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,Stefanie A. Mewes,Jesper Norell,Massimo Olivucci,Massimo Olivucci,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 Wesolowski,Per-Olof Widmark,Sebastian Wouters,Alexander Zech,J. Patrick Zobel,Roland Lindh +67 more
TL;DR: The OpenMolcas environment is described and features unique to simulations of spectroscopic and magnetic phenomena such as the exact semiclassical description of the interaction between light and matter, various X-ray processes, magnetic circular dichroism and properties are described.
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The First Introduction of Graphene to Rechargeable Li–CO2 Batteries
Zhang Zhang,Qiang Zhang,Ya-Nan Chen,Jie J. Bao,Xianlong Zhou,Zhaojun Xie,Jinping Wei,Zhen Zhou +7 more
TL;DR: Graphene can act as an efficient cathode in Li-CO2 batteries, and it provides a novel approach for simultaneously capturing CO2 and storing energy.
Journal ArticleDOI
Multiconfiguration Pair-Density Functional Theory.
TL;DR: The method presented has a computational cost and scaling similar to MCSCF, but a quantitative accuracy, even with the present first approximations to the new types of density functionals, that is comparable to much more expensive multireference perturbation theory methods.
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Hierarchical Carbon–Nitrogen Architectures with Both Mesopores and Macrochannels as Excellent Cathodes for Rechargeable Li–O2 Batteries
TL;DR: In this paper, a hierarchical carbon-nitrogen (C-N) structure with both macrochannels and mesopores was proposed for Li-O2 batteries, which showed high electrocatalytic activity and stable cyclability over 160 cycles.
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Achieving battery-level energy density by constructing aqueous carbonaceous supercapacitors with hierarchical porous N-rich carbon materials
TL;DR: In this article, a hierarchical porous N-rich graphitic carbon (HNGC) material was prepared to construct novel symmetric aqueous carbonaceous supercapacitors (ACSCs).