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Journal of Chemical Theory and Computation
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May 31, 2024
Orbital-Resolved DFT<i>+U</i> for Molecules and Solids
Eric Macke, Iurii Timrov, Nicola Marzari, et al.
Journal of Chemical Theory and Computation
|
January 7, 2026
Getting the Manifold Right: The Crucial Role of Orbital Resolution in DFT+<i>U</i> for Mixed d-f Electron Compounds
Kinga Warda, Eric Macke, Iurii Timrov, et al.
Npj Computational Materials
|
June 19, 2025
First-principles Hubbard parameters with automated and reproducible workflows
Lorenzo Bastonero, Cristiano Malica, Eric Macke, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 3) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
May 31, 2024
Orbital-Resolved DFT<i>+U</i> for Molecules and Solids
Eric Macke, Iurii Timrov, Nicola Marzari, et al.
Journal of Chemical Theory and Computation
|
January 7, 2026
Getting the Manifold Right: The Crucial Role of Orbital Resolution in DFT+<i>U</i> for Mixed d-f Electron Compounds
Kinga Warda, Eric Macke, Iurii Timrov, et al.
Npj Computational Materials
|
June 19, 2025
First-principles Hubbard parameters with automated and reproducible workflows
Lorenzo Bastonero, Cristiano Malica, Eric Macke, et al.
Page
of 1