Junwei Lucas Bao

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2015-2024
Publications (10 Years): 28

Top Venues

ACS applied materials & interfaces

Journal of chemical theory and computation

Journal of the American Chemical Society

Physical chemistry chemical physics : PCCP

Boston College

University of Minnesota Twin Cities (PHD)

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

Affiliation History

Boston College

United States

Assistant Professor :: Chemistry

Education History

University of Minnesota Twin Cities

United States

PHD :: Chemistry

Publications

Chong Teng, Yang Wang, Junwei Lucas Bao
Physical Prior Mean Function-Driven Gaussian Processes Search for Minimum-Energy Reaction Paths with a Climbing-Image Nudged Elastic Band: A General Method for Gas-Phase, Interfacial, and Bulk-Phase Reactions. Journal of chemical theory and computation 20 (10) (2024)
Chong Teng, Yang Wang, Junwei Lucas Bao
Physical Prior Mean Function-Driven Gaussian Processes Search for Minimum-Energy Reaction Paths with a Climbing-Image Nudged Elastic Band: A General Method for Gas-Phase, Interfacial, and Bulk-Phase Reactions. Journal of chemical theory and computation (2024)
Yang Wang, Chong Teng, Elijah Begin, Mason Bussiere, Junwei Lucas Bao
PW-SMD: A Plane-Wave Implicit Solvation Model Based on Electron Density for Surface Chemistry and Crystalline Systems in Aqueous Solution. Journal of chemical theory and computation 20 (15) (2024)
Yang Wang, Chong Teng, Elijah Begin, Mason Bussiere, Junwei Lucas Bao
PW-SMD: A Plane-Wave Implicit Solvation Model Based on Electron Density for Surface Chemistry and Crystalline Systems in Aqueous Solution. Journal of chemical theory and computation (2024)
Yang Wang, Tongtong Luo, Brooke Elander, Yu Mu, Dunwei Wang, Udayan Mohanty, Junwei Lucas Bao
Characterizing Grain Boundary Effects on Mg 2+ Conduction in Metal-Organic Frameworks. ACS applied materials & interfaces 15 (17) (2023)
Chong Teng, Daniel Huang, Junwei Lucas Bao
A spur to molecular geometry optimization: Gradient-enhanced universal kriging with on-the-fly adaptive ab initio prior mean functions in curvilinear coordinates. The Journal of chemical physics 158 (2) (2023)
Tongtong Luo, Yang Wang, Brooke Elander, Michael Goldstein, Yu Mu, James Wilkes, Mikayla Fahrenbruch, Justin Lee, Tevin Li, Junwei Lucas Bao, Udayan Mohanty, Dunwei Wang
Polysulfides in Magnesium-Sulfur Batteries. Advanced materials (Deerfield Beach, Fla.) (2023)
Yang Wang, Tongtong Luo, Brooke Elander, Yu Mu, Dunwei Wang, Udayan Mohanty, Junwei Lucas Bao
Characterizing Grain Boundary Effects on Mg 2+ Conduction in Metal-Organic Frameworks. ACS applied materials & interfaces (2023)
Yang Wang, Tongtong Luo, Brooke Elander, Yu Mu, Dunwei Wang, Udayan Mohanty, Junwei Lucas Bao
Characterizing Grain Boundary Effects on Mg 2+ Conduction in Metal-Organic Frameworks. ACS applied materials & interfaces (2023)
Yang Wang, Tongtong Luo, Brooke Elander, Yu Mu, Dunwei Wang, Udayan Mohanty, Junwei Lucas Bao
Characterizing Grain Boundary Effects on Mg 2+ Conduction in Metal-Organic Frameworks. ACS applied materials & interfaces (2023)
Yigao Yuan, Linan Zhou, Hossein Robatjazi, Junwei Lucas Bao, Jingyi Zhou, Aaron Bayles, Lin Yuan, Minghe Lou, Minhan Lou, Suman Khatiwada, Emily A Carter, Peter J Nordlander, Naomi J Halas
Earth-abundant photocatalyst for H 2 generation from NH 3 with light-emitting diode illumination. Science (New York, N.Y.) 378 (6622) (2022)
Yu Xia, Bo Long, Shiru Lin, Chong Teng, Junwei Lucas Bao, Donald G Truhlar
Large Pressure Effects Caused by Internal Rotation in the s-cis-syn -Acrolein Stabilized Criegee Intermediate at Tropospheric Temperature and Pressure. Journal of the American Chemical Society 144 (11) (2022)
Bo Long, Yu Xia, Junwei Lucas Bao, Javier Carmona-García, Juan Carlos Gómez Martín, John M C Plane, Alfonso Saiz-Lopez, Daniel Roca-Sanjuán, Joseph S Francisco
Reaction of SO 3 with HONO 2 and Implications for Sulfur Partitioning in the Atmosphere. Journal of the American Chemical Society 144 (20) (2022)
Chong Teng, Yang Wang, Daniel Huang, Katherine Martin, Jean-Baptiste Tristan, Junwei Lucas Bao
Dual-Level Training of Gaussian Processes with Physically Inspired Priors for Geometry Optimizations. Journal of chemical theory and computation 18 (9) (2022)
Linan Zhou, Minhan Lou, Junwei Lucas Bao, Chao Zhang, Jun G Liu, John Mark P Martirez, Shu Tian, Lin Yuan, Dayne F Swearer, Hossein Robatjazi, Emily A Carter, Peter J Nordlander, Naomi J Halas
Hot carrier multiplication in plasmonic photocatalysis. Proceedings of the National Academy of Sciences of the United States of America 118 (20) (2021)
Yang Wang, Tongtong Luo, Yang Li, Ailun Wang, Dunwei Wang, Junwei Lucas Bao, Udayan Mohanty, Chia-Kuang Tsung
Molecular-Level Insights into Selective Transport of Mg2+ in Metal-Organic Frameworks. ACS applied materials & interfaces (2021)
Bo Long, Ying Wang, Yu Xia, Xiao He, Junwei Lucas Bao, Donald G Truhlar
Atmospheric Kinetics: Bimolecular Reactions of Carbonyl Oxide by a Triple-Level Strategy. Journal of the American Chemical Society 143 (22) (2021)
Shouyi Yuan, Junwei Lucas Bao, Chao Li, Yong-Yao Xia, Donald G Truhlar, Yong-Gang Wang
Correction to "Dual Lithiophilic Structure for Uniform Li Deposition". ACS applied materials & interfaces 13 (1) (2020)
Junwei Lucas Bao, Bradley K Welch, Inga S Ulusoy, Xin Zhang, Xuefei Xu, Angela K Wilson, Donald G Truhlar
Predicting Bond Dissociation Energies and Bond Lengths of Coordinatively Unsaturated Vanadium-Ligand Bonds. The journal of physical chemistry. A 124 (47) (2020)
Junwei Lucas Bao, Emily A Carter
Rationalizing the Hot-Carrier-Mediated Reaction Mechanisms and Kinetics for Ammonia Decomposition on Ruthenium-Doped Copper Nanoparticles. Journal of the American Chemical Society 141 (34) (2019)
Junwei Lucas Bao, Emily A Carter
Surface-Plasmon-Induced Ammonia Decomposition on Copper: Excited-State Reaction Pathways Revealed by Embedded Correlated Wavefunction Theory. ACS nano 13 (9) (2019)
Bo Long, Junwei Lucas Bao, Donald G Truhlar
Rapid unimolecular reaction of stabilized Criegee intermediates and implications for atmospheric chemistry. Nature communications 10 (1) (2019)
Junwei Lucas Bao, Xin Zhang, Xuefei Xu, Donald G Truhlar
Predicting bond dissociation energy and bond length for bimetallic diatomic molecules: a challenge for electronic structure theory. Physical chemistry chemical physics : PCCP 19 (8) (2018)
Bo Long, Junwei Lucas Bao, Donald G Truhlar
Kinetics of the Strongly Correlated CH3O + O2 Reaction: The Importance of Quadruple Excitations in Atmospheric and Combustion Chemistry. Journal of the American Chemical Society 141 (1) (2018)
Junwei Lucas Bao, Soumen Ghosh, Donald G Truhlar
Self-Interaction Error in Density Functional Theory: An Appraisal. The journal of physical chemistry letters 9 (9) (2018)
Bo Long, Junwei Lucas Bao, Donald G Truhlar
Reaction of SO2 with OH in the atmosphere. Physical chemistry chemical physics : PCCP 19 (11) (2018)
Junwei Lucas Bao, Samuel O Odoh, Soumen Ghosh, Donald G Truhlar
Predicting Bond Dissociation Energies of Transition-Metal Compounds by Multiconfiguration Pair-Density Functional Theory and Second-Order Perturbation Theory Based on Correlated Participating Orbitals and Separated Pairs. Journal of chemical theory and computation 13 (2) (2017)
Soumen Ghosh, Donald G Truhlar, Giovanni Li Manni, Rebecca K Carlson, Chad E Hoyer, Junwei Lucas Bao
Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems. Accounts of chemical research 50 (1) (2016)
Junwei Lucas Bao, Rubén Meana-Pañeda, Donald G Truhlar
Multi-path variational transition state theory for chiral molecules: the site-dependent kinetics for abstraction of hydrogen from 2-butanol by hydroperoxyl radical, analysis of hydrogen bonding in the transition state, and dramatic temperature dependence of the activation energy. Chemical science 6 (10) (2015)

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Publication Activity (10 Years)

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Junwei Lucas Bao