Qin Wu (Q Wu)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 20

Top Venues

Journal of the American Chemical Society

Journal of chemical theory and computation

Angewandte Chemie (International ed. in English)

The journal of physical chemistry. B

Brookhaven National Laboratory

Duke University (PHD)

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

Affiliation History

Brookhaven National Laboratory

United States

Scientific staff :: Center for Functional Nanomaterials

Massachusetts Institute of Technology

United States

Postdoc :: Chemistry

Education History

Duke University

United States

PHD :: Chemistry

Peking University

China

BSC :: Chemistry

Publications

Lauren E Raguette, Sarah S Gunasekera, Rebeca I Diaz Ventura, Ethan Aminov, Jason T Linzer, Diksha Parwana, Qin Wu, Carlos L Simmerling, Maria C Nagan
Adjusting the Energy Profile for CH-O Interactions Leads to Improved Stability of RNA Stem-Loop Structures in MD Simulations. The journal of physical chemistry. B (2024)
Lauren E Raguette, Abbigayle E Cuomo, Kellon A A Belfon, Chuan Tian, Victoria Hazoglou, Gabriela Witek, Stephen M Telehany, Qin Wu, Carlos L Simmerling
phosaa14SB and phosaa19SB: Updated Amber Force Field Parameters for Phosphorylated Amino Acids. Journal of chemical theory and computation (2024)
Rayan Alaufey, Lingyan Zhao, Andrew Lindsay, Tana Siboonruang, Qin Wu, John A Keith, Ezra C Wood, Maureen H Tang
Interplay between Catalyst Corrosion and Homogeneous Reactive Oxygen Species in Electrochemical Ozone Production. ACS catalysis 14 (9) (2024)
Lauren E Raguette, Sarah S Gunasekera, Rebeca I Diaz Ventura, Ethan Aminov, Jason T Linzer, Diksha Parwana, Qin Wu, Carlos L Simmerling, Maria C Nagan
Adjusting the Energy Profile for CH-O Interactions Leads to Improved Stability of RNA Stem-Loop Structures in MD Simulations. The journal of physical chemistry. B 128 (33) (2024)
Rayan Alaufey, Lingyan Zhao, Andrew Lindsay, Tana Siboonruang, Qin Wu, John A Keith, Ezra C Wood, Maureen H Tang
Interplay between Catalyst Corrosion and Homogeneous Reactive Oxygen Species in Electrochemical Ozone Production. ACS catalysis 14 (9) (2024)
Mesfin Diro Chaka, Chernet Amente Geffe, Alex Rodriguez, Nicola Seriani, Qin Wu, Yedilfana Setarge Mekonnen
High-Throughput Screening of Promising Redox-Active Molecules with MolGAT. ACS omega 8 (27) (2023)
Qin Wu, Talin Avanesian, Xiaohui Qu, Hubertus Van Dam
PolyODENet: Deriving mass-action rate equations from incomplete transient kinetics data. The Journal of chemical physics 157 (16) (2022)
Qin Wu, Guangjin Wang, Mingjie Liu
On the Sensitivity to Density-Functional Approximations for CO Binding Energies of Single-Atom Catalysts in Nitrogen-Doped Graphene. Chemphyschem : a European journal of chemical physics and physical chemistry 23 (5) (2022)
Lili Han, Shoujie Song, Mingjie Liu, Siyu Yao, Zhixiu Liang, Hao Cheng, Zhouhong Ren, Wei Liu, Ruoqian Lin, Gaocan Qi, Xijun Liu, Qin Wu, Jun Luo, Huolin L Xin
Stable and Efficient Single-Atom Zn Catalyst for CO2 Reduction to CH4. Journal of the American Chemical Society 142 (29) (2020)
Edoardo Apra, Eric J Bylaska, Wibe A de Jong, Niranjan Govind, Karol Kowalski, T P Straatsma, Marat Valiev, H J J van Dam, Yuri Alexeev, J Anchell, V Anisimov, F W Aquino, R Atta-Fynn, Jochen Autschbach, Nicholas P Bauman, J C Becca, D E Bernholdt, K Bhaskaran-Nair, S Bogatko, P Borowski, J Boschen, J Brabec, A Bruner, E Cauët, Y Chen, Gennady N Chuev, Christopher J Cramer, J Daily, M J O Deegan, Thom H Dunning, Michel Dupuis, K G Dyall, G I Fann, S A Fischer, A Fonari, H Früchtl, Soumen Ghosh, J Garza, N Gawande, Soumen Ghosh, K Glaesemann, Andreas W Götz, Jeff R Hammond, Volkhard Helms, E D Hermes, K Hirao, So Hirata, M Jacquelin, Lasse Jensen, B G Johnson, Hannes Jónsson, R A Kendall, M Klemm, Rika Kobayashi, V Konkov, S Krishnamoorthy, M Krishnan, Z Lin, R D Lins, R J Littlefield, Andrew James Logsdail, Kenneth Lopata, W Ma, A V Marenich, Jorge M Del Campo, Daniel Mejía-Rodríguez, J E Moore, J M Mullin, Takahito Nakajima, D R Nascimento, J A Nichols, P J Nichols, J Nieplocha, A Otero-de-la-Roza, B Palmer, Ajay Panyala, Teerapong Pirojsirikul, Bo Peng, Roberto Peverati, J Pittner, L Pollack, Ryan M Richard, P Sadayappan, George C Schatz, W A Shelton, D W Silverstein, D M A Smith, Thereza A Soares, Duo Song, Marcel Swart, H L Taylor, G S Thomas, V Tipparaju, Donald G Truhlar, K Tsemekhman, T Van Voorhis, Á Vázquez-Mayagoitia, Prakash Verma, O Villa, A Vishnu, K D Vogiatzis, Dunyou Wang, J H Weare, Mark J Williamson, T L Windus, K Woliński, A T Wong, Qin Wu, C Yang, Q Yu, M Zacharias, Zhiyong Zhang, Yan Zhao, R J Harrison
NWChem: Past, present, and future. The Journal of chemical physics 152 (18) (2020)
Mingjie Liu, Mark S Hybertsen, Qin Wu
A Physical Model for Understanding the Activation of MoS2 Basal-Plane Sulfur Atoms for the Hydrogen Evolution Reaction. Angewandte Chemie (International ed. in English) 59 (35) (2020)
Jing Zhang, Xiaoyin Tian, Mingjie Liu, Hua Guo, Jiadong Zhou, Qiyi Fang, Zheng Liu, Qin Wu, Yingchao Yang
Cobalt-Modulated Molybdenum-Dinitrogen Interaction in MoS2 for Catalyzing Ammonia Synthesis. Journal of the American Chemical Society 141 (49) (2019)
Ruoqian Lin, Enyuan Hu, Mingjie Liu, Yi Wang, Hao Cheng, Jinpeng Wu, Jin-Cheng Zheng, Qin Wu, Seongmin Bak, Xiao Tong, Rui Zhang, Wanli Yang, Kristin Aslaug Persson, Xiqian Yu, Xiao-Qing Yang, Huolin L Xin
Anomalous metal segregation in lithium-rich material provides design rules for stable cathode in lithium-ion battery. Nature communications 10 (1) (2019)
Mingjie Liu, Huolin Xin, Qin Wu
Unusual strain effect of a Pt-based L10 face-centered tetragonal core in core/shell nanoparticles for the oxygen reduction reaction. Physical chemistry chemical physics : PCCP 21 (12) (2019)
Jia-Shiang Chen, Mingxing Li, Qin Wu, Eduard Fron, Xiao Tong, Mircea Cotlet
Layer-Dependent Photoinduced Electron Transfer in 0D-2D Lead Sulfide/Cadmium Sulfide-Layered Molybdenum Disulfide Hybrids. ACS nano 13 (7) (2019)
Chuan Tian, Koushik Kasavajhala, Kellon A A Belfon, Lauren Raguette, He Huang, Angela N Migues, John Bickel, Yuzhang Wang, Jorge Pincay, Qin Wu, Carlos L Simmerling
ff19SB: Amino-Acid-Specific Protein Backbone Parameters Trained against Quantum Mechanics Energy Surfaces in Solution. Journal of chemical theory and computation 16 (1) (2019)
Feng-Yang Shih, Deokkyu Choi, Qin Wu, Chang-Yong Nam, Robert B Grubbs
ipso-Arylative Ring-Opening Polymerization as a Route to Electron-Deficient Conjugated Polymers. Angewandte Chemie (International ed. in English) 58 (1) (2018)
Jiahua Hu, Ke Xu, Lei Shen, Qin Wu, Guiying He, Jie-Yu Wang, Jian Pei, Jian-Long Xia, Matthew Y Sfeir
New insights into the design of conjugated polymers for intramolecular singlet fission. Nature communications 9 (1) (2018)
Jing Huang, Ye Mei, Gerhard König, Andrew C Simmonett, Frank C Pickard, Qin Wu, Lee-Ping Wang, Alexander D MacKerell, Bernard R Brooks, Yihan Shao
An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field Approaches. Journal of chemical theory and computation 13 (2) (2017)
Wenhan He, Maksim Y Livshits, Diane A Dickie, Zhen Zhang, Luis E Mejiaortega, Jeffrey J Rack, Qin Wu, Yang Qin
"Roller-Wheel"-Type Pt-Containing Small Molecules and the Impact of "Rollers" on Material Crystallinity, Electronic Properties, and Solar Cell Performance. Journal of the American Chemical Society 139 (40) (2017)

Qin Wu.css-eqlu8i{font-size:small;padding-left:4px;} (Q Wu)

Publication Activity (10 Years)

Top Topics

Top Venues

Qin Wu (Q Wu)