E-LIB Suche - Ergebnisse für: Huber, Sebastiaan P.

1

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/..

2

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/..

3

Automated reproducible workflows and data provenance with A..:

Huber, Sebastiaan P.
Nature Reviews Physics. 4 (2022) 7 - p. 431-431 , 2022

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

4

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/..

5

Workflows in AiiDA: Engineering a high-throughput, event-ba..:

Uhrin, Martin ; Huber, Sebastiaan P. ; Yu, Jusong..
Computational Materials Science. 187 (2021) - p. 110086 , 2021

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

6

Workflow Engineering in Materials Design within the BATTERY..:

Schaarschmidt, Joerg ; Yuan, Jie ; Strunk, Timo...
Advanced Energy Materials. 12 (2021) 17 - p. , 2021

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

7

Materials Cloud, a platform for open computational science:

Talirz, Leopold ; Kumbhar, Snehal ; Passaro, Elsa...
Scientific Data. 7 (2020) 1 - p. , 2020

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

8

AiiDA 1.0, a scalable computational infrastructure for auto..:

Huber, Sebastiaan P. ; Zoupanos, Spyros ; Uhrin, Martin...
Scientific Data. 7 (2020) 1 - p. , 2020

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

9

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

Bosoni, Emanuele ; Beal, Louis ; Eimre, Kristjan...
info:eu-repo/semantics/altIdentifier/doi/10.34734/FZJ-2023-04521. , 2024

Link: https://juser.fz-juelich..

10

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

Bosoni, Emanuele ; Beal, Louis ; Bercx, Marnik...
boreal:283774. , 2023

Link: http://hdl.handle.net/20..

11

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

Bosoni, Emanuele ; Beal, Louis ; Bercx, Marnik...
boreal:283774. , 2023

Link: http://hdl.handle.net/20..

12

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

Bosoni, Emanuele ; Beal, Louis ; Bercx, Marnik...
http://arxiv.org/abs/2305.17274. , 2023

Link: http://arxiv.org/abs/230..

13

Workflow Engineering in Materials Design within the BATTERY..:

Schaarschmidt, Joerg ; Yuan, Jie ; Strunk, Timo...
https://orbit.dtu.dk/en/publications/8f3fc433-af10-492f-90b0-7afe8839b8d4. , 2022

Link: https://orbit.dtu.dk/en/..

14

Common workflows for computing material properties using di..:

Huber, Sebastiaan P ; Bosoni, Emanuele ; Bercx, Marnik...
qt4w70n173. , 2021

Link: https://escholarship.org..

15

Virtual Computational Chemistry Teaching Laboratories—Hands..:

Kobayashi, Rika ; Goumans, Theodorus P. M ; Carstensen, N. Ole...
boreal:254784. , 2021

Link: http://hdl.handle.net/20..