E-LIB Suche - Ergebnisse für: Marzari, Nicola

1

On-site and intersite Hubbard corrections in magnetic monol..:

Haddadi, Fatemeh ; Linscott, Edward ; Timrov, Iurii..
Physical Review Materials. 8 (2024) 1 - p. , 2024

Link: https://doi.org/10.1103/..

2

Searching for the Thinnest Metallic Wire:

Cignarella, Chiara ; Campi, Davide ; Marzari, Nicola
ACS Nano. , 2024

Link: https://doi.org/10.1021/..

3

Orbital-Resolved DFT+U for Molecules and Solids:

Macke, Eric ; Timrov, Iurii ; Marzari, Nicola.
Journal of Chemical Theory and Computation. 20 (2024) 11 - p. 4824-4843 , 2024

Link: https://doi.org/10.1021/..

4

Type-I antiferromagnetic Weyl semimetal InMnTi2:

Grassano, Davide ; Binci, Luca ; Marzari, Nicola
Physical Review Research. 6 (2024) 1 - p. , 2024

Link: https://doi.org/10.1103/..

5

High-throughput screening of Weyl semimetals:

Grassano, Davide ; Marzari, Nicola ; Campi, Davide
Physical Review Materials. 8 (2024) 2 - p. , 2024

Link: https://doi.org/10.1103/..

6

The rule of four: anomalous distributions in the stoichiome..:

Gazzarrini, Elena ; Cersonsky, Rose K. ; Bercx, Marnik..
npj Computational Materials. 10 (2024) 1 - p. , 2024

Link: https://doi.org/10.1038/..

7

A bridge between trust and control: computational workflows..:

Kraus, Peter ; Bainglass, Edan ; Ramirez, Francisco F....
Journal of Materials Chemistry A. 12 (2024) 18 - p. 10773-10783 , 2024

Link: https://doi.org/10.1039/..

8

Solvation Free Energies from Machine Learning Molecular Dyn..:

Bonnet, Nicéphore ; Marzari, Nicola
Journal of Chemical Theory and Computation. 20 (2024) 11 - p. 4820-4823 , 2024

Link: https://doi.org/10.1021/..

9

Magnetostriction-Driven Muon Localization in an Antiferroma..:

Bonfà, Pietro ; Onuorah, Ifeanyi John ; Lang, Franz...
Physical Review Letters. 132 (2024) 4 - p. , 2024

Link: https://doi.org/10.1103/..

10

Author Correction: The rule of four: anomalous distribution..:

Gazzarrini, Elena ; Cersonsky, Rose K. ; Bercx, Marnik..
npj Computational Materials. 10 (2024) 1 - p. , 2024

Link: https://doi.org/10.1038/..

11

Automated all-functionals infrared and Raman spectra:

Bastonero, Lorenzo ; Marzari, Nicola
npj Computational Materials. 10 (2024) 1 - p. , 2024

Link: https://doi.org/10.1038/..

12

Accurate Prediction of Hall Mobilities in Two-Dimensional M..:

Poncé, Samuel ; Royo, Miquel ; Gibertini, Marco..
Physical Review Letters. 130 (2023) 16 - p. , 2023

Link: https://doi.org/10.1103/..

13

Hybridization driving distortions and multiferroicity in ra..:

Binci, Luca ; Kotiuga, Michele ; Timrov, Iurii.
Physical Review Research. 5 (2023) 3 - p. , 2023

Link: https://doi.org/10.1103/..

14

koopmans: An Open-Source Package for Accurately and Efficie..:

Linscott, Edward B. ; Colonna, Nicola ; De Gennaro, Riccardo...
Journal of Chemical Theory and Computation. 19 (2023) 20 - p. 7097-7111 , 2023

Link: https://doi.org/10.1021/..

15

Solids that are also liquids: elastic tensors of superionic..:

Materzanini, Giuliana ; Chiarotti, Tommaso ; Marzari, Nicola
npj Computational Materials. 9 (2023) 1 - p. , 2023

Link: https://doi.org/10.1038/..