E-LIB Suche - Ergebnisse für: Petretto, Guido

1

Jobflow: Computational Workflows Made Simple:

Rosen, Andrew S. ; Gallant, Max ; George, Janine...
Journal of Open Source Software. 9 (2024) 93 - p. 5995 , 2024

Link: https://doi.org/10.21105..

2

Second-harmonic generation tensors from high-throughput den..:

Trinquet, Victor ; Naccarato, Francesco ; Brunin, Guillaume...
Scientific Data. 11 (2024) 1 - p. , 2024

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

3

How to verify the precision of density-functional-theory im..:

Bosoni, Emanuele ; Beal, Louis ; Bercx, Marnik...
Nature Reviews Physics. 6 (2023) 1 - p. 45-58 , 2023

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

4

Modeling symmetric and defect-free carbon schwarzites into ..:

Marazzi, Enrico ; Ghojavand, Ali ; Pirard, Jérémie...
Carbon. 215 (2023) - p. 118385 , 2023

Link: https://doi.org/10.1016/..

5

Automated Bonding Analysis with Crystal Orbital Hamilton Po..:

George, Janine ; Petretto, Guido ; Naik, Aakash...
ChemPlusChem. 87 (2022) 11 - p. , 2022

Link: https://doi.org/10.1002/..

6

Front Cover: Automated Bonding Analysis with Crystal Orbita..:

George, Janine ; Petretto, Guido ; Naik, Aakash...
ChemPlusChem. 87 (2022) 11 - p. , 2022

Link: https://doi.org/10.1002/..

7

Automated Bonding Analysis with Crystal Orbital Hamilton Po..:

George, Janine ; Petretto, Guido ; Naik, Aakash...
ChemPlusChem. 87 (2022) 11 - p. , 2022

Link: https://doi.org/10.1002/..

8

Common workflows for computing material properties using di..:

Huber, Sebastiaan P. ; Bosoni, Emanuele ; Bercx, Marnik...
npj Computational Materials. 7 (2021) 1 - p. , 2021

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

9

The importance of the shape of Cu2O nanocrystals on plasmon..:

Saada, Tamazouzt Nait ; Pang, Liuqing ; Sravan Kumar, Kilaparthi...
Electrochimica Acta. 390 (2021) - p. 138810 , 2021

Link: https://doi.org/10.1016/..

10

Amorphization mechanism of SrIrO3electrocatalyst: How oxyge..:

Wan, Gang ; Freeland, John W. ; Kloppenburg, Jan...
Science Advances. 7 (2021) 2 - p. , 2021

Link: https://doi.org/10.1126/..

11

Ferroelectricity and multiferroicity in anti–Ruddlesden–Pop..:

Markov, Maxime ; Alaerts, Louis ; Miranda, Henrique Pereira Coutada...
Proceedings of the National Academy of Sciences. 118 (2021) 17 - p. , 2021

Link: https://doi.org/10.1073/..

12

ABINIT: Overview and focus on selected capabilities:

Romero, Aldo H. ; Allan, Douglas C. ; Amadon, Bernard...
The Journal of Chemical Physics. 152 (2020) 12 - p. , 2020

Link: https://doi.org/10.1063/..

13

The Limited Predictive Power of the Pauling Rules:

George, Janine ; Waroquiers, David ; Di Stefano, Davide...
Angewandte Chemie. 132 (2020) 19 - p. 7639-7645 , 2020

Link: https://doi.org/10.1002/..

14

The Limited Predictive Power of the Pauling Rules:

George, Janine ; Waroquiers, David ; Di Stefano, Davide...
Angewandte Chemie International Edition. 59 (2020) 19 - p. 7569-7575 , 2020

Link: https://doi.org/10.1002/..

15

Convergence and pitfalls of density functional perturbation..:

Petretto, Guido ; Gonze, Xavier ; Hautier, Geoffroy.
Computational Materials Science. 144 (2018) - p. 331-337 , 2018

Link: https://doi.org/10.1016/..