E-LIB Suche - Ergebnisse für: Blüm, Volker

1

Roadmap on methods and software for electronic structure ba..:

Blum, Volker ; Asahi, Ryoji ; Autschbach, Jochen...
Electronic Structure. , 2024

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

2

Molecular NMR shieldings, J-couplings, and magnetizabilitie..:

Laasner, Raul ; Mandzhieva, Iuliia ; Huhn, William P...
Electronic Structure. 6 (2024) 2 - p. 027002 , 2024

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

3

Roadmap on Data-Centric Materials Science:

Bauer, Stefan ; Benner, Peter ; Bereau, Tristan...
Modelling and Simulation in Materials Science and Engineering. , 2024

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

4

Structure and electronic tunability of acene alkylamine bas..:

Song, Ruyi ; Liu, Chi ; Kanai, Yosuke..
Physical Review Materials. 7 (2023) 8 - p. , 2023

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

5

Atomic Simulation Interface (ASI): applicationprogramming i..:

Stishenko, Pavel V. ; Keal, Thomas W. ; Woodley, Scott M....
Journal of Open Source Software. 8 (2023) 85 - p. 5186 , 2023

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

6

Benchmark thermodynamic analysis of methylammonium lead iod..:

Heine, Douglas ; Yu, Hui-Chia ; Blum, Volker
Journal of Physics: Energy. 6 (2023) 1 - p. 015015 , 2023

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

7

Phase Stability, Band Gap Tuning, and Rashba Splitting in S..:

Chang, Eric T. ; Koknat, Gabrielle ; Wessler, Garrett C. McKeown...
Chemistry of Materials. 35 (2023) 2 - p. 595-608 , 2023

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

8

Roadmap on electronic structure codes in the exascale era:

Gavini, Vikram ; Baroni, Stefano ; Blum, Volker...
Modelling and Simulation in Materials Science and Engineering. 31 (2023) 6 - p. 063301 , 2023

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

9

Metal Halide Perovskite Heterostructures: Blocking Anion Di..:

Hautzinger, Matthew P. ; Raulerson, Emily K. ; Harvey, Steven P....
Journal of the American Chemical Society. 145 (2023) 4 - p. 2052-2057 , 2023

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

10

Chiral Cation Doping for Modulating Structural Symmetry of ..:

Xie, Yi ; Morgenstein, Jack ; Bobay, Benjamin G....
Journal of the American Chemical Society. 145 (2023) 32 - p. 17831-17844 , 2023

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

11

Curated materials data of hybrid perovskites: approaches an..:

Chakraborty, Rayan ; Blum, Volker
Trends in Chemistry. 5 (2023) 10 - p. 720-733 , 2023

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

12

Thickness control of organic semiconductor-incorporated per..:

Park, Jee Yung ; Song, Ruyi ; Liang, Jie...
Nature Chemistry. 15 (2023) 12 - p. 1745-1753 , 2023

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

13

Exploration, Prediction, and Experimental Verification of S..:

Wang, Tianlin ; McWhorter, Timothy M. ; McKeown Wessler, Garrett C....
Chemistry of Materials. , 2023

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

14

Electronic Impurity Doping of a 2D Hybrid Lead Iodide Perov..:

Lu, Haipeng ; Koknat, Gabrielle ; Yao, Yi...
PRX Energy. 2 (2023) 2 - p. , 2023

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

15

Coherent Phonon‐Induced Modulation of Charge Transfer in 2D..:

Seyitliyev, Dovletgeldi ; Qin, Xixi ; Jana, Manoj K....
Advanced Functional Materials. 33 (2023) 21 - p. , 2023

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