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T

Tim Gould

chinese academy of sciences

32H-index
217Paper Count
4.0KCitation Count
Published Papers 56
Publication Date
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Scalable and accurate simulation of electrolyte solutions with quantum chemical accuracy
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2025-02-26
err0
errOAAI
errZhang, Junji; Pagotto, Joshua; Gould, Tim; Duignan, Timothy T.
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A Vertical Hybrid van der Waals Ferroelectric Material for Nonvolatile Memory
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2025-01-03
err0
PREAI
errTawfik, Sherif Abdulkader; Gould, Tim
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errSave
Localized Oxidative Catalytic Reactions Triggered by Cavitation Bubbles Confinement on Copper Oxide Microstructured Particles.
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2024-11-16
err1
PREAI
errMahendran, Valarmathi; Trinh, Quang Thang; Xie, Zhangyue; Jonnalagadda, Umesh; Gould, Tim; Nguyen, Nam-Trung; Kwan, James; Choksi, Tej S.; Liu, Wen; Valange, Sabine; Jerome, Francois; Amaniampong, Prince Nana
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errSave
Local Density Approximation for Excited States
errPHYSICAL REVIEW X
IF15.7
err2024-11-15
err0
errOAAI
errGould, Tim; Pittalis, Stefano
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Nonempirical Prediction of the Length-Dependent Ionization Potential in Molecular Chains
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-08-13
err2
errOAAI
errOhad, Guy; Hartstein, Michal; Gould, Tim; Neaton, Jeffrey B.; Kronik, Leeor
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Large-area phosphorene for stable carbon-based perovskite solar cells
errNPJ 2D MATERIALS AND APPLICATIONS
IF8.8
err2024-06-08
err9
errOAAI
errMyagmarsereejid, Purevlkham; Suragtkhuu, Selengesuren; Trinh, Quang Thang; Gould, Tim; Nguyen, Nam-Trung; Bat-Erdene, Munkhjargal; Campbell, Eric; Hoang, Minh Tam; Chiu, Wei-Hsun; Li, Qin; Wang, Hongxia; Zhong, Yu Lin; Batmunkh, Munkhbayar
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Identifying and embedding transferability in data-driven representations of chemical space
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err3
errOAAI
errGould, Tim; Chan, Bun; Dale, Stephen G.; Vuckovic, Stefan
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Permeability of Dermatological Solutes through the Short Periodicity Phase of Human Stratum Corneum Lipid Bilayers
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-12-26
err1
PREAI
errZakaria, Afshin Zamani; Malde, Alpeshkumar K.; Gould, Tim
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errSave
A step toward density benchmarking-The energy-relevant mean field error
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-11-29
err5
errOAAI
errGould, Tim
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Permeable Cornified Envelope Layer Regulates the Solute Transport in Human Stratum Corneum
errJOURNAL OF PHARMACEUTICAL SCIENCES
IF3.8
err2023-07-01
err2
PREAI
errZakaria, Afshin Zamani; Jepps, Owen G.; Gould, Tim; Anissimov, Yuri G.
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Toward routine Kohn-Sham inversion using the Lieb-response approach
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-02-08
err9
errOAAI
errGould, Tim
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errSave
Nanoarchitectonics of Two-Dimensional Electrochromic Materials: Achievements and Future Challenges
errADVANCED MATERIALS TECHNOLOGIES
IF6.2
err2022-10-25
err22
errOAAI
errLi, Meng; Wu, Zhenzhen; Tian, Yuhui; Pan, Feng; Gould, Tim; Zhang, Shanqing
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errSave
First-Principles Exploration of 2D Benzenehexathiolate Coordination Nanosheets for Broadband Electrochromic Devices
errADVANCED FUNCTIONAL MATERIALS
IF19
err2022-08-07
err10
errOAAI
errLi, Meng; Wu, Zhenzhen; Zheng, Mengting; Chen, Hao; Gould, Tim; Zhang, Shanqing
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errSave
Band-Structure Engineering of Copper Benzenehexathiol for Reversible Mechanochromism: A First-Principles Study
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2022-07-07
err1
PREAI
errLi, Meng; Wu, Zhenzhen; Tian, Yuhui; Pan, Feng; Zhang, Shanqing; Gould, Tim
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errSave
First-principles study of the atomic volume of hydrogen in palladium
errJOURNAL OF ALLOYS AND COMPOUNDS
IF6.3
err2021-05-01
err6
PREAI
errSetayandeh, Samaneh Sadat; Gould, Tim; Vaez, Aminollah; McLennan, Keith; Armanet, Nicolas; Gray, Evan
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Self-Interaction-Corrected Random Phase Approximation
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-03-10
err3
PREAI
errRuan, Shiqi; Ren, Xinguo; Gould, Tim; Ruzsinszky, Adrienn
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Ensemble generalized Kohn-Sham theory: The good, the bad, and the ugly
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-03-05
err22
errOAAI
errGould, Tim; Kronik, Leeor
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Effect of pseudopotential choice on the calculated electron and phonon band structures of palladium hydride and its vacancy defect phases
errINTERNATIONAL JOURNAL OF HYDROGEN ENERGY
IF8.3
err2021-01-01
err4
PREAI
errSetayandeh, Samaneh Sadat; Gould, Tim; Vaez, Aminollah; Gray, Evan
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errSave
Carbon dots derived from human hair for ppb level chloroform sensing in water
errSUSTAINABLE MATERIALS AND TECHNOLOGIES
IF9.2
err2020-09-01
err31
errOAAI
errSingh, Amandeep; Eftekhari, Ehsan; Scott, James; Kaur, Jasreet; Yambem, Soniya; Leusch, Frederic; Wellings, Rodney; Gould, Tim; (Ken), Kostya Ostrikov; Sonar, Prashant; Li, Qin
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Exact Generalized Kohn-Sham Theory for Hybrid Functionals
errPHYSICAL REVIEW X
IF15.7
err2020-05-20
err45
errOAAI
errGarrick, Rachel; Natan, Amir; Gould, Tim; Kronik, Leeor
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Research Directions

No research directions
Co-authors
Cooperation Journals
H
Huijun Zhao
H-index: 131 · Papers: 1.5K
J
John P. Perdew
H-index: 113 · Papers: 552
K
Kostya Ostrikov
H-index: 104 · Papers: 1.4K
N
Nam‐Trung Nguyen
H-index: 101 · Papers: 1.1K
J
Jeffrey B. Neaton
H-index: 97 · Papers: 744
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