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)

|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