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J

John A. Keith

university of pittsburgh

41H指数
188论文数
7.0K被引数
收录论文 63
发表时间
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Improving coupled cluster theory for strongly correlated molecules with Kohn-Sham density encoding利用Kohn-Sham密度编码改进强关联分子的耦合簇理论
errNature Communications
IF15.7
err2026-09-11
err0
errOAAI
errAbdulrahman Y. Zamani; Barbaro Zulueta; Andrew M. Ricciuti; John A. Keith; Kay Carter-Fenk
err分享
err收藏
A Comprehensive Benchmark Database of Per- and Polyfluoroalkyl Substance Properties from Quantum Mechanical Methods量子力学方法下全氟和多氟烷基物质性质的综合基准数据库
errJournal of Chemical Information and Modeling
IF5.3
err2026-04-29
err0
errOAAI
errMelissa Marciesky; Scott Simpson; John Keith; Carla Ng
err分享
err收藏
Work Function Signatures of Oxide and Sulfide Formation on Cu-Ni Alloy Surfaces氧化物和硫化物在Cu-Ni合金表面的功函数特征
errJournal of Physical Chemistry C
IF3.2
err2026-02-01
err0
PREAI
errPolicastro, Steven A.; Anderson, Rachel M.; Shockley, Ethan A.; Keith, John A.
err分享
err收藏
Electrochemical Corrosion and Catalysis Dynamics of Tin Oxide during Water Oxidation锡氧化物在水分解过程中的电化学腐蚀与催化动力学
errACS Catalysis
IF13.1
err2025-10-28
err0
errOAAI
errRayan Alaufey; Lingyan Zhao; Christina Lents; Brianna Markunas; Adam D. Walter; Qin Wu; John A. Keith; Maureen Tang
err分享
err收藏
Zero-point energies from bond orders and populations relationships
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-02-24
err0
PREAI
errZulueta, Barbaro; Rude, Colin D.; Mangiardi, Jesse A.; Petersson, George A.; Keith, John A.
err分享
err收藏
A focus on delocalization error poisoning the density-functional many-body expansion对污染密度泛函多体展开的离域化误差的关注
errCHEMICAL SCIENCE
IF7.4
err2025-01-01
err2
errOAAI
errZulueta, Barbaro; Keith, John A.
err分享
err收藏
The fascinating world of polymer crystal hydrates: An overview
errAICHE JOURNAL
IF4
err2024-08-16
err0
errOAAI
errFilonowich, Dominick; Velankar, Sachin; Keith, John A.
err分享
err收藏
Interplay between Catalyst Corrosion and Homogeneous Reactive Oxygen Species in Electrochemical Ozone Production电化学臭氧生产中催化剂腐蚀与均相活性氧之间的相互作用
errACS CATALYSIS
IF13.1
err2024-04-18
err2
errOAAI
errAlaufey, Rayan; Zhao, Lingyan; Lindsay, Andrew; Siboonruang, Tana; Wu, Qin; Keith, John A.; Wood, Ezra; Tang, Maureen
err分享
err收藏
Modeling molecular ensembles with gradient-domain machine learning force fields
errDIGITAL DISCOVERY
IF5.6
err2023-01-01
err12
errOAAI
errMaldonado, Alex M.; Poltavsky, Igor; Vassilev-Galindo, Valentin; Tkatchenko, Alexandre; Keith, John A.
err分享
err收藏
A Bond-Energy/Bond-Order and Populations Relationship
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-07-18
err10
errOAAI
errZulueta, Barbaro; Tulyani, Sonia, V; Westmoreland, Phillip R.; Frisch, Michael J.; Petersson, E. James; Petersson, George A.; Keith, John A.
err分享
err收藏
Deeper learning in electrocatalysis: realizing opportunities and addressing challenges
errCURRENT OPINION IN CHEMICAL ENGINEERING
IF6.8
err2022-06-01
err7
errOAAI
errKeith, John A.; McKone, James R.; Snyder, Joshua D.; Tang, Maureen H.
err分享
err收藏
Quantum alchemy beyond singlets: Bonding in diatomic molecules with hydrogen
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-05-24
err4
errOAAI
errEikey, Emily A.; Maldonado, Alex M.; Griego, Charles D.; von Rudorff, Guido Falk; Keith, John A.
err分享
err收藏
Evaluating quantum alchemy of atoms with thermodynamic cycles: Beyond ground electronic states
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-02-11
err8
errOAAI
errEikey, Emily A.; Maldonado, Alex M.; Griego, Charles D.; von Rudorff, Guido Falk; Keith, John A.
err分享
err收藏
Gd-Ni-Sb-SnO2 electrocatalysts for active and selective ozone production
errAICHE JOURNAL
IF4
err2021-10-18
err17
errOAAI
errLansing, James L.; Zhao, Lingyan; Siboonruang, Tana; Attanayake, Nuwan H.; Leo, Angela B.; Fatouros, Peter; Park, So Min; Graham, Kenneth R.; Keith, John A.; Tang, Maureen
err分享
err收藏
A Tribute to Emily A. Carter
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2021-03-04
err0
errOAAI
errZhuang, Houlong; Keith, John; Martinez, Todd
err分享
err收藏
Computationally Guided Searches for Efficient Catalysts through Chemical/Materials Space: Progress and Outlook
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2021-02-19
err6
PREAI
errGriego, Charles D.; Maldonado, Alex M.; Zhao, Lingyan; Zulueta, Barbaro; Gentry, Brian M.; Lipsman, Eli; Choi, Tae Hoon; Keith, John A.
err分享
err收藏
Quantifying Uncertainties in Solvation Procedures for Modeling Aqueous Phase Reaction Mechanisms
errJOURNAL OF PHYSICAL CHEMISTRY A
IF2.8
err2021-01-04
err31
errOAAI
errMaldonado, Alex M.; Hagiwara, Satoshi; Choi, Tae Hoon; Eckert, Frank; Schwarz, Kathleen; Sundararaman, Ravishankar; Otani, Minoru; Keith, John A.
err分享
err收藏
Machine learning corrected alchemical perturbation density functional theory for catalysis applications
errAICHE JOURNAL
IF4
err2020-10-04
err15
PREAI
errGriego, Charles D.; Zhao, Lingyan; Saravanan, Karthikeyan; Keith, John A.
err分享
err收藏
Unveiling the Synergistic Role of Oxygen Functional Groups in the Graphene-Mediated Oxidation of Glutathione
errACS APPLIED MATERIALS & INTERFACES
IF8.2
err2020-09-17
err15
PREAI
errWang, Yan; Basdogan, Yasemin; Zhang, Tianyu; Lankone, Ronald S.; Wallace, Alexa N.; Fairbrother, D. Howard; Keith, John A.; Gilbertson, Leanne M.
err分享
err收藏
Combined Neural Network Potential and Density Functional Theory Study of TiAl2O5 Surface Morphology and Oxygen Reduction Reaction Overpotentials
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2020-06-18
err12
PREAI
errGroenenboom, Mitchell C.; Anderson, Rachel M.; Wollmershauser, James A.; Horton, Derek J.; Policastro, Steven A.; Keith, John A.
err分享
err收藏

研究方向

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合作学者
合作期刊
W
William A. Goddard
H 指数: 184 · 论文数: 2.4K
A
Adri C. T. van Duin
H 指数: 114 · 论文数: 822
E
Emily A. Carter
H 指数: 102 · 论文数: 718
M
Matthew S. Sigman
H 指数: 99 · 论文数: 578
M
Michael J. Frisch
H 指数: 98 · 论文数: 354
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