Tim Gould

Associate Professor

Griffith University

Australia

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Articles (17)

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2024

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2024

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2024

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2024

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2024

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2023

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2023

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2023

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2022

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2022

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2022

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2022

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2022

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2022

Collaborators (11)

Frank De Proft

Vrije Universiteit Brussel

BELGIUM

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Qin Li

Griffith University

AUSTRALIA

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John Dobson

Emeritus professor

Griffith University

AUSTRALIA

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Stephen G. Dale

Griffith University

AUSTRALIA

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Selengesuren Suragtkhuu

Griffith University

AUSTRALIA

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Paola Gori-Giorgi

NETHERLANDS

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David A. Strubbe

UNITED STATES

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Zhenzhen Wu

AUSTRALIA

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Heng Zhao

University of Fribourg

SWITZERLAND

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Alpesh MALDE

Griffith University

AUSTRALIA

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Piotr Piecuch

UNITED STATES

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Tim Gould

Research Interests

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Articles (17)

Size Isn’t Everything: Geometric Tuning in Polycyclic Aromatic Hydrocarbons and Its Implications for Carbon Nanodots

Nonempirical Prediction of the Length-Dependent Ionization Potential in Molecular Chains

Large-area phosphorene for stable carbon-based perovskite solar cells

Permeability of Dermatological Solutes through the Short Periodicity Phase of Human Stratum Corneum Lipid Bilayers

Deep Mind 21 functional does not extrapolate to transition metal chemistry

Identifying and embedding transferability in data-driven representations of chemical space

Electronic Excited States in Extreme Limits via Ensemble Density Functionals

Toward routine Kohn–Sham inversion using the “Lieb-response” approach

Toward routine Kohn–Sham inversion using the “Lieb-response” approach

Nanoarchitectonics of Two‐Dimensional Electrochromic Materials: Achievements and Future Challenges

A step toward density benchmarking—The energy-relevant “mean field error”

Single Excitation Energies Obtained from the Ensemble “HOMO–LUMO Gap”: Exact Results and Approximations

Nuclear cusps and singularities in the nonadditive kinetic potential bifunctional from analytical inversion

First‐Principles Exploration of 2D Benzenehexathiolate Coordination Nanosheets for Broadband Electrochromic Devices

Band-Structure Engineering of Copper Benzenehexathiol for Reversible Mechanochromism: A First-Principles Study

DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science

Poisoning density functional theory with benchmark sets of difficult systems

Collaborators (11)

Frank De Proft

Qin Li

John Dobson

Stephen G. Dale

Selengesuren Suragtkhuu

Paola Gori-Giorgi

David A. Strubbe

Zhenzhen Wu

Heng Zhao

Alpesh MALDE

Piotr Piecuch

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