E-LIB Suche - Ergebnisse für: Lokamani, Mani

1

Machine learning-driven structure prediction for iron hydri..:

Tahmasbi, Hossein ; Ramakrishna, Kushal ; Lokamani, Mani.
Physical Review Materials. 8 (2024) 3 - p. , 2024

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

2

Assessing the accuracy of hybrid exchange-correlation funct..:

Moldabekov, Zhandos A. ; Lokamani, Mani ; Vorberger, Jan..
The Journal of Chemical Physics. 158 (2023) 9 - p. , 2023

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

3

Stretch Evolution of Electronic Coupling of the Thiophenyl ..:

Lokamani, Mani ; Kilibarda, Filip ; Günther, Florian...
The Journal of Physical Chemistry Letters. 14 (2023) 24 - p. 5709-5717 , 2023

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

4

Impact of Electronic Correlations on High-Pressure Iron: In..:

Ramakrishna, Kushal ; Lokamani, Mani ; Baczewski, Andrew..
Electronic Structure. , 2023

Link: https://doi.org/10.1088/..

5

Transferable interatomic potential for aluminum from ambien..:

Kumar, Sandeep ; Tahmasbi, Hossein ; Ramakrishna, Kushal...
Physical Review Research. 5 (2023) 3 - p. , 2023

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

6

Averaging over atom snapshots in linear-response TDDFT of d..:

Moldabekov, Zhandos A. ; Vorberger, Jan ; Lokamani, Mani.
The Journal of Chemical Physics. 159 (2023) 1 - p. , 2023

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

7

Non-empirical Mixing Coefficient for Hybrid XC Functionals ..:

Moldabekov, Zhandos A. ; Lokamani, Mani ; Vorberger, Jan..
The Journal of Physical Chemistry Letters. 14 (2023) 5 - p. 1326-1333 , 2023

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

8

Overarching Data Management Ecosystem at HZDR: From Small E..:

Knodel, Oliver ; Gruber, Thomas ; Kelling, Jeffrey...
Proceedings of the Conference on Research Data Infrastructure. 1 (2023) - p. , 2023

Link: https://doi.org/10.52825..

9

A combined experimental and theoretical study of 1,4-bis(ph..:

Lokamani, Mani ; Kelling, Jeffrey ; Ohmann, Robin...
Surface Science. 712 (2021) - p. 121877 , 2021

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

10

HELIPORT : A Portable Platform for {FAIR Workflow | Meta..:

, In: Proceedings of the 4th International Workshop on Practical Reproducible Evaluation of Computer Systems,

Knodel, Oliver ; Voigt, Martin ; Ufer, Robert... - p. 9-14 , 2020

Link: https://dl.acm.org/doi/1..

11

Probing Iron in Earth's Core With Molecular-Spin Dynamics:

Nikolov, Svetoslav ; Ramakrishna, Kushal ; Rohskopf, Andrew...
http://arxiv.org/abs/2311.08737. , 2023

Link: http://arxiv.org/abs/231..

12

Training scripts and input data sets: Transferable Interato..:

Kumar, Sandeep ; Tahmasbi, Hossein ; Ramakrishna, Kushal...
url:https://www.hzdr.de/publications/Publ-37282. , 2023

Link: https://rodare.hzdr.de/r..

13

HELIPORT (HELmholtz ScIentific Project WORkflow PlaTform):

Voigt, Martin ; Ufer, Robert ; Schacht, Wilhelm...
doi:10.14278/rodare.1652. , 2023

Link: https://rodare.hzdr.de/r..

14

Non-empirical Mixing Coefficient for Hybrid XC Functionals ..:

Moldabekov, Zhandos A ; Lokamani, Mani ; Vorberger, Jan..
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9923747/. , 2023

Link: http://www.ncbi.nlm.nih...

15

Overarching Data Management Ecosystem at HZDR:

Knodel, Oliver ; Gruber, Thomas ; Kelling, Jeffrey...
doi:10.52825/cordi.v1i.277. , 2023

Link: https://zenodo.org/recor..