Timothy Gould (Tim Gould)

Scopus Author ID ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 34

Top Venues

Physical chemistry chemical physics : PCCP

Journal of chemical theory and computation

The Journal of chemical physics

Journal of chemical information and modeling

Griffith University

Griffith University (PHD)

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

Affiliation History

Griffith University Jan 01 2017

Australia

Senior Lecturer :: Environment and Science

Griffith University Jul 01 2007

Australia

Lecture B :: Queensland Micro- and Nano-technology Centre

Lancaster University Sep 01 2003 - Sep 01 2006

United Kingdom

Post-doc :: Applied Physics

University of York Jan 01 2002 - Jul 01 2003

United Kingdom

Post-doc :: Physics

Education History

Griffith University Jan 01 1999 - Dec 23 2001

Australia

PHD :: Physics

University of Melbourne Jan 01 1998 - Jan 10 1998

Australia

BSC :: Mathematics

Griffith University Jan 01 1995 - Nov 01 1997

Australia

BSC :: Physical Mathematics

Publications

Timothy Gould, Bun Chan, Stephen G Dale, Stefan Vuckovic
Identifying and embedding transferability in data-driven representations of chemical space. Chemical science 15 (28) (2024)
James M Scott, Stephen G Dale, James McBroom, Timothy Gould, Qin Li
Size Isn't Everything: Geometric Tuning in Polycyclic Aromatic Hydrocarbons and Its Implications for Carbon Nanodots. The journal of physical chemistry. A (2024)
Timothy Gould, Bun Chan, Stephen G Dale, Stefan Vuckovic
Identifying and embedding transferability in data-driven representations of chemical space. Chemical science 15 (28) (2024)
Guy Ohad, Michal Hartstein, Timothy Gould, Jeffrey B Neaton, Leeor Kronik
Nonempirical Prediction of the Length-Dependent Ionization Potential in Molecular Chains. Journal of chemical theory and computation (2024)
Guy Ohad, Michal Hartstein, Timothy Gould, Jeffrey B Neaton, Leeor Kronik
Nonempirical Prediction of the Length-Dependent Ionization Potential in Molecular Chains. Journal of chemical theory and computation (2024)
Heng Zhao, Timothy Gould, Stefan Vuckovic
Deep Mind 21 functional does not extrapolate to transition metal chemistry. Physical chemistry chemical physics : PCCP 26 (16) (2024)
Heng Zhao, Timothy Gould, Stefan Vuckovic
Deep Mind 21 functional does not extrapolate to transition metal chemistry. Physical chemistry chemical physics : PCCP (2024)
Heng Zhao, Timothy Gould, Stefan Vuckovic
Deep Mind 21 functional does not extrapolate to transition metal chemistry. Physical chemistry chemical physics : PCCP 26 (16) (2024)
James M Scott, Stephen G Dale, James McBroom, Timothy Gould, Qin Li
Size Isn't Everything: Geometric Tuning in Polycyclic Aromatic Hydrocarbons and Its Implications for Carbon Nanodots. The journal of physical chemistry. A 128 (11) (2024)
Heng Zhao, Timothy Gould, Stefan Vuckovic
Deep Mind 21 functional does not extrapolate to transition metal chemistry. Physical chemistry chemical physics : PCCP 26 (16) (2024)
Guy Ohad, Michal Hartstein, Timothy Gould, Jeffrey B Neaton, Leeor Kronik
Nonempirical Prediction of the Length-Dependent Ionization Potential in Molecular Chains. Journal of chemical theory and computation (2024)
Afshin Zamani Zakaria, Alpeshkumar K Malde, Timothy Gould
Permeability of Dermatological Solutes through the Short Periodicity Phase of Human Stratum Corneum Lipid Bilayers. Journal of chemical information and modeling 64 (1) (2023)
Afshin Zamani Zakaria, Alpeshkumar K Malde, Timothy Gould
Permeability of Dermatological Solutes through the Short Periodicity Phase of Human Stratum Corneum Lipid Bilayers. Journal of chemical information and modeling 64 (1) (2023)
Timothy Gould
Toward routine Kohn-Sham inversion using the "Lieb-response" approach. The Journal of chemical physics 158 (6) (2023)
Afshin Zamani Zakaria, Alpeshkumar K Malde, Timothy Gould
Permeability of Dermatological Solutes through the Short Periodicity Phase of Human Stratum Corneum Lipid Bilayers. Journal of chemical information and modeling 64 (1) (2023)
Afshin Zamani Zakaria, Alpeshkumar K Malde, Timothy Gould
Permeability of Dermatological Solutes through the Short Periodicity Phase of Human Stratum Corneum Lipid Bilayers. Journal of chemical information and modeling (2023)
Timothy Gould, Stephen G Dale
Poisoning density functional theory with benchmark sets of difficult systems. Physical chemistry chemical physics : PCCP 24 (11) (2022)
Andrew M Wibowo-Teale, Trygve Helgaker, Andreas Savin, Carlo Adamo, Bálint Aradi, Alexei V Arbuznikov, Paul W Ayers, Evert Jan Baerends, Vincenzo Barone, Patrizia Calaminici, Eric Cancès, Emily A Carter, Pratim Kumar Chattaraj, Henry Chermette, Ilaria Ciofini, T Daniel Crawford, Frank de Proft, John F Dobson, Claudia Draxl, Thomas Frauenheim, Emmanuel Fromager, Patricio Fuentealba, Soumen Ghosh, Giulia Galli, Jiali Gao, Paul Geerlings, Nikitas I Gidopoulos, Peter M W Gill, Paola Gori-Giorgi, Andreas Görling, Timothy Gould, Stefan Grimme, Oleg V Gritsenko, Hans Jørgen Aagaard Jensen, Erin R Johnson, Robert O Jones, Martin Kaupp, Andreas M Köster, Leeor Kronik, Anna I Krylov, Simen Kvaal, Andre Laestadius, Mel Levy, Mathieu Lewin, Shubin Liu, Pierre-François Loos, Neepa T Maitra, Frank Neese, John P Perdew, Katarzyna Pernal, Pascal Pernot, Piotr Piecuch, Elisa Rebolini, Lucia Reining, Pina Romaniello, Adrienn Ruzsinszky, Dennis R Salahub, Matthias Scheffler, Peter Schwerdtfeger, Viktor N Staroverov, Jianwei Sun, Erik I Tellgren, David J Tozer, Samuel B Trickey, Carsten A Ullrich, Alberto Vela, Giovanni Vignale, Tomasz Adam Wesołowski, Xin Xu, Weitao Yang
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical chemistry chemical physics : PCCP 24 (47) (2022)
Timothy Gould, Zahed Hashimi, Leeor Kronik, Stephen G Dale
Single Excitation Energies Obtained from the Ensemble "HOMO-LUMO Gap": Exact Results and Approximations. The journal of physical chemistry letters 13 (10) (2022)
Minho Kim, Timothy Gould, Ekaterina I Izgorodina, Dario Rocca, Sébastien Lebègue
Establishing the accuracy of density functional approaches for the description of noncovalent interactions in ionic liquids. Physical chemistry chemical physics : PCCP 23 (45) (2021)
Shiqi Ruan, Xinguo Ren, Timothy Gould, Adrienn Ruzsinszky
Self-Interaction-Corrected Random Phase Approximation. Journal of chemical theory and computation 17 (4) (2021)
Minho Kim, Timothy Gould, Dario Rocca, Sébastien Lebègue
Establishing the accuracy of density functional approaches for the description of noncovalent interactions in biomolecules. Physical chemistry chemical physics : PCCP 22 (38) (2020)
Minho Kim, Won June Kim, Timothy Gould, Eok Kyun Lee, Sébastien Lebègue, Hyungjun Kim
uMBD: A Materials-Ready Dispersion Correction That Uniformly Treats Metallic, Ionic, and van der Waals Bonding. Journal of the American Chemical Society 142 (5) (2020)
David Adekoya, Hao Chen, Hui Ying Hoh, Timothy Gould, M-Sadeeq Jie Tang Balogun, Chao Lai, Huijun Zhao, Shanqing Zhang
Hierarchical Co3O4@N-Doped Carbon Composite as an Advanced Anode Material for Ultrastable Potassium Storage. ACS nano 14 (4) (2020)
Timothy Gould
Approximately Self-Consistent Ensemble Density Functional Theory: Toward Inclusion of All Correlations. The journal of physical chemistry letters 11 (22) (2020)
Maria Hellgren, Timothy Gould
Strong Correlation and Charge Localization in Kohn-Sham Theories with Fractional Orbital Occupations. Journal of chemical theory and computation 15 (9) (2019)
Claudio Cazorla, Timothy Gould
Polymorphism of bulk boron nitride. Science advances 5 (1) (2019)
Timothy Gould, Stefan Vuckovic
Range-separation and the multiple radii functional approximation inspired by the strongly interacting limit of density functional theory. The Journal of chemical physics 151 (18) (2019)
Timothy Gould, Leeor Kronik, Stefano Pittalis
Charge transfer excitations from exact and approximate ensemble Kohn-Sham theory. The Journal of chemical physics 148 (17) (2018)
Musen Li, Jeffrey R Reimers, John F Dobson, Timothy Gould
Faraday cage screening reveals intrinsic aspects of the van der Waals attraction. Proceedings of the National Academy of Sciences of the United States of America 115 (44) (2018)
Julien Claudot, Won June Kim, Anant Dixit, Hyungjun Kim, Timothy Gould, Dario Rocca, Sébastien Lebègue
Benchmarking several van der Waals dispersion approaches for the description of intermolecular interactions. The Journal of chemical physics 148 (6) (2018)
Timothy Gould, Erin R Johnson, Sherif Abdulkader Tawfik
Are dispersion corrections accurate outside equilibrium? A case study on benzene. Beilstein journal of organic chemistry 14 (2018)
Timothy Gould, Julien Toulouse, János G Ángyán, John F Dobson
Casimir-Polder Size Consistency: A Constraint Violated by Some Dispersion Theories. Journal of chemical theory and computation 13 (12) (2017)
Timothy Gould
What Makes a Density Functional Approximation Good? Insights from the Left Fukui Function. Journal of chemical theory and computation 13 (6) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Timothy Gould (Tim Gould)