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Van‐Quan Vuong

University of Tennessee System

15H指数
51论文数
875被引数
收录论文 16
发表时间
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PAL – parallel active learning for machine-learned potentialsPAL – 并行主动学习用于机器学习势能
errDigital Discovery
IF5.6
err2025-07-26
err0
errOAAI
errChen Zhou; Marlen Neubert; Yuri Koide; Yumeng Zhang; Van-Quan Vuong; Tobias Schlöder; Stefanie Dehnen; Pascal Friederich
err分享
err收藏
Hybrid Functional DFTB Parametrizations for Modeling Organic Photovoltaic Systems混合功能DFTB参数化方法用于有机光伏系统的建模
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-05-08
err0
errOAAI
errSun, Wenbo; van der Heide, Tammo; Vuong, Van-Quan; Frauenheim, Thomas; Sentef, Michael A.; Aradi, Balint; Lien-Medrano, Carlos R.
err分享
err收藏
Evaluation of Density-Functional Tight-Binding Methods for Simulation of Protic Molecular Ion Pairs质子分子离子对模拟的密度泛函紧密结合方法的评估
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2025-02-13
err0
errOAAI
errWalker, Tyler; Vuong, Van-Quan; Irle, Stephan; Ma, Jihong
err分享
err收藏
Multipole Expansion of Atomic Electron Density Fluctuation Interactions in the Density-Functional Tight-Binding Method
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-10-27
err2
PREAI
errVuong, Van-Quan; Aradi, Balint; Niklasson, Anders M. N.; Cui, Qiang; Irle, Stephan
err分享
err收藏
Toward Quantum Chemical Free Energy Simulations of Platinum Nanoparticles on Titania Support
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-08-30
err1
errOAAI
errVuong, Van-Quan; Lee, Ka Hung; Savara, Aditya A.; Fung, Victor; Irle, Stephan
err分享
err收藏
Accelerating the density-functional tight-binding method using graphical processing units
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-02-24
err6
errOAAI
errVuong, Van-Quan; Cevallos, Caterina; Hourahine, Ben; Aradi, Balint; Jakowski, Jacek; Irle, Stephan; Camacho, Cristopher
err分享
err收藏
Reparameterization of the chemical-potential equalization model with DFTB3: A practical balance between accuracy and transferability
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-02-13
err2
errOAAI
errVuong, Van-Quan; Cui, Qiang
err分享
err收藏
Structural and functional characterization of NEMO cleavage by SARS-CoV-2 3CLpro
errNATURE COMMUNICATIONS
IF15.7
err2022-09-08
err17
errOAAI
errHameedi, Mikhail Ali; Prates, Erica T.; Garvin, Michael R.; Mathews, Irimpan; Amos, B. Kirtley; Demerdash, Omar; Bechthold, Mark; Iyer, Mamta; Rahighi, Simin; Kneller, Daniel W.; Kovalevsky, Andrey; Irle, Stephan; Van-Quan Vuong; Mitchell, Julie C.; Labbe, Audrey; Galanie, Stephanie; Wakatsuki, Soichi; Jacobson, Daniel
err分享
err收藏
Investigating the Accuracy of Water Models through the Van Hove Correlation Function通过Van Hove关联函数研究水模型的准确性
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-09-13
err13
errOAAI
errMatsumoto, Ray A.; Thompson, Matthew W.; Van Quan Vuong; Zhang, Weiwei; Shinohara, Yuya; van Duin, Adri C. T.; Kent, Paul R. C.; Irle, Stephan; Egami, Takeshi; Cummings, Peter T.
err分享
err收藏
How the Size and Density of Charge-Transfer Excitons Depend on Heterojunction's Architecture
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2021-03-03
err7
errOAAI
errVarella, Marcio T. do N.; Stojanovic, Ljiljana; Van Quan Vuong; Irle, Stephan; Niehaus, Thomas A.; Barbatti, Mario
err分享
err收藏
Pre-Sodiated Ti3C2Tx MXene Structure and Behavior as Electrode for Sodium-Ion Capacitors预钠化的Ti3C2Tx MXene结构和行为作为钠离子电容器的电极
errACS NANO
IF16
err2021-01-29
err57
errOAAI
errBrady, Alexander; Liang, Kun; Van Quan Vuong; Sacci, Robert; Prenger, Kaitlyn; Thompson, Matt; Matsumoto, Ray; Cummings, Peter; Irle, Stephan; Wang, Hsiu-Wen; Naguib, Michael
err分享
err收藏
Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2020-12-16
err130
errOAAI
errAcharya, A.; Agarwal, R.; Baker, M. B.; Baudry, J.; Bhowmik, D.; Boehm, S.; Byler, K. G.; Chen, S. Y.; Coates, L.; Cooper, C. J.; Demerdash, O.; Daidone, I; Eblen, J. D.; Ellingson, S.; Forli, S.; Glaser, J.; Gumbart, J. C.; Gunnels, J.; Hernandez, O.; Irle, S.; Kneller, D. W.; Kovalevsky, A.; Larkin, J.; Lawrence, T. J.; LeGrand, S.; Liu, S-H; Mitchell, J. C.; Park, G.; Parks, J. M.; Pavlova, A.; Petridis, L.; Poole, D.; Pouchard, L.; Ramanathan, A.; Rogers, D. M.; Santos-Martins, D.; Scheinberg, A.; Sedova, A.; Shen, Y.; Smith, J. C.; Smith, M. D.; Soto, C.; Tsaris, A.; Thavappiragasam, M.; Tillack, A. F.; Vermaas, J. V.; Vuong, V. Q.; Yin, J.; Yoo, S.; Zahran, M.; Zanetti-Polzi, L.
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Structure and Dynamics of the Reactive State for the Histidine Methylation Process and Catalytic Mechanism of SETD3: Insights from Quantum Mechanics/Molecular Mechanics Investigation
errACS CATALYSIS
IF13.1
err2020-11-02
err10
PREAI
errDeng, Hao; Ma, Yue; Ren, Wan-Sheng; Van Quan Vuong; Qian, Ping; Guo, Hong
err分享
err收藏
Density-functional tight-binding for phosphine-stabilized nanoscale gold clusters
errCHEMICAL SCIENCE
IF7.4
err2020-01-01
err17
errOAAI
errVuong, Van Quan; Madridejos, Jenica Marie L.; Aradi, Balint; Sumpter, Bobby G.; Metha, Gregory F.; Irle, Stephan
err分享
err收藏
The Fragment Molecular Orbital Method Based on Long-Range Corrected Density-Functional Tight-Binding
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-04-18
err36
errOAAI
errVan Quan Vuong; Nishimoto, Yoshio; Fedorov, Dmitri G.; Sumpter, Bobby G.; Niehaus, Thomas A.; Irle, Stephan
err分享
err收藏
Parametrization and Benchmark of Long-Range Corrected DFTB2 for Organic Molecules
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-12-27
err74
PREAI
errVan Quan Vuong; Kuriappan, Jissy Akkarapattiakal; Kubillus, Maximilian; Kranz, Julian J.; Mast, Thilo; Niehaus, Thomas A.; Irle, Stephan; Elstner, Marcus
err分享
err收藏

研究方向

暂时未获取到该数据
合作学者
合作期刊
A
Adri C. T. van Duin
H 指数: 114 · 论文数: 826
J
Jeremy C. Smith
H 指数: 107 · 论文数: 1.3K
T
Thomas Frauenheim
H 指数: 100 · 论文数: 939
B
Bobby G. Sumpter
H 指数: 86 · 论文数: 922
J
John C. Mitchell
H 指数: 86 · 论文数: 494
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