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Timothy Gould

25PUBLICATIONS

93CO-AUTHORS

Theoretical quantum chemistryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterComputational chemistryLasers and quantum electronicsDeep learning

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Publications (25)

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|Mar 03, 2026

Publisher's Note: "'Ensemblization' of density functional theory" [J. Chem. Phys. 164, 040901 (2026)].

Tim Gould, Leeor Kronik, Stefano Pittalis

|Jan 30, 2026

"Ensemblization" of density functional theory.

Tim Gould, Leeor Kronik, Stefano Pittalis

|Jun 16, 2025

"Slim" Benchmark Sets for Faster Method Development.

Tim Gould, Stefan Vuckovic

|Aug 13, 2024

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

Guy Ohad, Michal Hartstein, Tim Gould

|Jul 19, 2024

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

Tim Gould, Bun Chan, Stephen G Dale

|Apr 10, 2024

Deep Mind 21 functional does not extrapolate to transition metal chemistry.

Heng Zhao, Tim Gould, Stefan Vuckovic

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Frequent Collaborators

5 joint publications

Leeor Kronik

4 joint publications

Stephen G Dale

3 joint publications

Stefan Vuckovic

2 joint publications

Erin R Johnson

2 joint publications

Stefano Pittalis

2 joint publications

Adrienn Ruzsinszky

2 joint publications

Minho Kim

1 joint publications

Sherif Abdulkader Tawfik

1 joint publications

Claudio Cazorla

1 joint publications

Maria Hellgren

Frequent Collaborators

5 joint publications

Leeor Kronik

4 joint publications

Stephen G Dale

3 joint publications

Stefan Vuckovic

2 joint publications

Erin R Johnson

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