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Journal of Chemical Theory and Computation
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March 10, 2021
Self-Interaction-Corrected Random Phase Approximation
Shiqi Ruan, Xinguo Ren, Tim Gould, et al.
The Journal of Chemical Physics
|
February 10, 2020
What do we learn from the classical turning surface of the Kohn-Sham potential as electron number is varied continuously?
Tim Gould, Benjamin T Liberles, John P Perdew
Journal of Chemical Information and Modeling
|
December 26, 2023
Permeability of Dermatological Solutes through the Short Periodicity Phase of Human Stratum Corneum Lipid Bilayers
Afshin Zamani Zakaria, Alpeshkumar K Malde, Tim Gould
Chemical Science
|
July 19, 2024
Identifying and embedding transferability in data-driven representations of chemical space
Tim Gould, Bun Chan, Stephen G Dale, et al.
Journal of Chemical Theory and Computation
|
December 14, 2016
A Fractionally Ionic Approach to Polarizability and van der Waals Many-Body Dispersion Calculations
Tim Gould, Sébastien Lebègue, János G Ángyán, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
January 13, 2016
Many-body dispersion corrections for periodic systems: an efficient reciprocal space implementation
Tomáš Bučko, Sébastien Lebègue, Tim Gould, et al.
Physical Review Letters
|
June 23, 2025
State-Specific Density Functionals for Excited States via a Density-Driven Correlation Model
Tim Gould, Stephen G Dale, Leeor Kronik, et al.
The Journal of Physical Chemistry Letters
|
March 10, 2022
Single Excitation Energies Obtained from the Ensemble "HOMO-LUMO Gap": Exact Results and Approximations
Tim Gould, Zahed Hashimi, Leeor Kronik, et al.
Physical Review Letters
|
March 24, 2023
Electronic Excited States in Extreme Limits via Ensemble Density Functionals
Tim Gould, Derk P Kooi, Paola Gori-Giorgi, et al.
The Journal of Chemical Physics
|
June 7, 2012
Quantum continuum mechanics made simple
Tim Gould, Georg Jansen, I V Tokatly, et al.
Page
of 6
Search research articles
Search
Showing results (31-40 of 60) with videos related to
Sort By:
Page
of 6
Journal of Chemical Theory and Computation
|
March 10, 2021
Self-Interaction-Corrected Random Phase Approximation
Shiqi Ruan, Xinguo Ren, Tim Gould, et al.
The Journal of Chemical Physics
|
February 10, 2020
What do we learn from the classical turning surface of the Kohn-Sham potential as electron number is varied continuously?
Tim Gould, Benjamin T Liberles, John P Perdew
Journal of Chemical Information and Modeling
|
December 26, 2023
Permeability of Dermatological Solutes through the Short Periodicity Phase of Human Stratum Corneum Lipid Bilayers
Afshin Zamani Zakaria, Alpeshkumar K Malde, Tim Gould
Chemical Science
|
July 19, 2024
Identifying and embedding transferability in data-driven representations of chemical space
Tim Gould, Bun Chan, Stephen G Dale, et al.
Journal of Chemical Theory and Computation
|
December 14, 2016
A Fractionally Ionic Approach to Polarizability and van der Waals Many-Body Dispersion Calculations
Tim Gould, Sébastien Lebègue, János G Ángyán, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
January 13, 2016
Many-body dispersion corrections for periodic systems: an efficient reciprocal space implementation
Tomáš Bučko, Sébastien Lebègue, Tim Gould, et al.
Physical Review Letters
|
June 23, 2025
State-Specific Density Functionals for Excited States via a Density-Driven Correlation Model
Tim Gould, Stephen G Dale, Leeor Kronik, et al.
The Journal of Physical Chemistry Letters
|
March 10, 2022
Single Excitation Energies Obtained from the Ensemble "HOMO-LUMO Gap": Exact Results and Approximations
Tim Gould, Zahed Hashimi, Leeor Kronik, et al.
Physical Review Letters
|
March 24, 2023
Electronic Excited States in Extreme Limits via Ensemble Density Functionals
Tim Gould, Derk P Kooi, Paola Gori-Giorgi, et al.
The Journal of Chemical Physics
|
June 7, 2012
Quantum continuum mechanics made simple
Tim Gould, Georg Jansen, I V Tokatly, et al.
Page
of 6