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Vuckovic, Stefan
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1

Identifying and embedding transferability in data-driven re..:

Gould, Tim ; Chan, Bun ; Dale, Stephen G..
Chemical Science.  15 (2024)  28 - p. 11122-11133 , 2024
Link: https://doi.org/10.1039/..
 
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2

Deep Mind 21 functional does not extrapolate to transition ..:

Zhao, Heng ; Gould, Tim ; Vuckovic, Stefan
Physical Chemistry Chemical Physics.  26 (2024)  16 - p. 12289-12298 , 2024
Link: https://doi.org/10.1039/..
 
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3

Nonlocal Functionals Inspired by the Strongly Interacting L..:

Vuckovic, Stefan ; Bahmann, Hilke
Journal of Chemical Theory and Computation.  , 2023
Link: https://doi.org/10.1021/..
 
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4

Correction to "Noncovalent Interactions from Models for the..:

Daas, Kimberly J. ; Fabiano, Eduardo ; Della Sala, Fabio..
The Journal of Physical Chemistry Letters.  14 (2023)  6 - p. 1478-1478 , 2023
Link: https://doi.org/10.1021/..
 
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5

Regularized and Opposite Spin-Scaled Functionals from Mølle..:

Daas, Kimberly J. ; Kooi, Derk P. ; Peters, Nina C....
The Journal of Physical Chemistry Letters.  14 (2023)  38 - p. 8448-8459 , 2023
Link: https://doi.org/10.1021/..
 
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6

Using AI to navigate through the DFA zoo:

Vuckovic, Stefan
Nature Computational Science.  3 (2023)  1 - p. 6-7 , 2023
Link: https://doi.org/10.1038/..
 
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7

Extending density functional theory with near chemical accu..:

Song, Suhwan ; Vuckovic, Stefan ; Kim, Youngsam...
Nature Communications.  14 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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8

Correction to "Density Functional Theory for Molecule–Metal..:

Gerrits, Nick ; Smeets, Egidius W. F. ; Vuckovic, Stefan...
The Journal of Physical Chemistry Letters.  13 (2022)  45 - p. 10575-10576 , 2022
Link: https://doi.org/10.1021/..
 
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9

Density functionals based on the mathematical structure of ..:

Vuckovic, Stefan ; Gerolin, Augusto ; Daas, Kimberly J....
WIREs Computational Molecular Science.  13 (2022)  2 - p. , 2022
Link: https://doi.org/10.1002/..
 
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10

Quantification of Geometric Errors Made Simple: Application..:

Vuckovic, Stefan
The Journal of Physical Chemistry A.  126 (2022)  7 - p. 1300-1311 , 2022
Link: https://doi.org/10.1021/..
 
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11

Density-Corrected DFT Explained: Questions and Answers:

Song, Suhwan ; Vuckovic, Stefan ; Sim, Eunji.
Journal of Chemical Theory and Computation.  18 (2022)  2 - p. 817-827 , 2022
Link: https://doi.org/10.1021/..
 
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12

Improving Results by Improving Densities: Density-Corrected..:

Sim, Eunji ; Song, Suhwan ; Vuckovic, Stefan.
Journal of the American Chemical Society.  144 (2022)  15 - p. 6625-6639 , 2022
Link: https://doi.org/10.1021/..
 
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13

Erratum: "Large coupling-strength expansion of the Møller–P..:

Daas, Kimberly J. ; Grossi, Juri ; Vuckovic, Stefan...
The Journal of Chemical Physics.  154 (2021)  18 - p. , 2021
Link: https://doi.org/10.1063/..
 
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14

Density Sensitivity of Empirical Functionals:

Song, Suhwan ; Vuckovic, Stefan ; Sim, Eunji.
The Journal of Physical Chemistry Letters.  12 (2021)  2 - p. 800-807 , 2021
Link: https://doi.org/10.1021/..
 
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15

Noncovalent Interactions from Models for the Møller–Plesset..:

Daas, Kimberly J. ; Fabiano, Eduardo ; Della Sala, Fabio..
The Journal of Physical Chemistry Letters.  12 (2021)  20 - p. 4867-4875 , 2021
Link: https://doi.org/10.1021/..
 
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