E-LIB Suche - Ergebnisse für: Smolyanyuk, Andriy

1

A tool to check whether a symmetry-compensated collinear ma..:

Smolyanyuk, Andriy ; Šmejkal, Libor ; Mazin, Igor I.
SciPost Physics Codebases. , 2024

Link: https://doi.org/10.21468..

2

Codebase release r1.0 for amcheck:

Smolyanyuk, Andriy ; Šmejkal, Libor ; Mazin, Igor I.
SciPost Physics Codebases. , 2024

Link: https://doi.org/10.21468..

3

QH-POCC: Taming tiling entropy in thermal expansion calcula..:

Esters, Marco ; Smolyanyuk, Andriy ; Oses, Corey...
Acta Materialia. 245 (2023) - p. 118594 , 2023

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

4

Local symmetry groups for arbitrary wavevectors:

Maggio, Emanuele ; Smolyanyuk, Andriy ; Tomczak, Jan M
Journal of Physics A: Mathematical and Theoretical. 56 (2023) 45 - p. 455307 , 2023

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

5

Pb10−xCux (PO4)6O: a Mott or charge transfer insulator in n..:

Si, Liang ; Wallerberger, Markus ; Smolyanyuk, Andriy...
Journal of Physics: Condensed Matter. 36 (2023) 6 - p. 065601 , 2023

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

6

aflow.org: A web ecosystem of databases, software and tools:

Esters, Marco ; Oses, Corey ; Divilov, Simon...
Computational Materials Science. 216 (2023) - p. 111808 , 2023

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

7

aflow++: A C++ framework for autonomous materials design:

Oses, Corey ; Esters, Marco ; Hicks, David...
Computational Materials Science. 217 (2023) - p. 111889 , 2023

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

8

Tin-pest problem as a test of density functionals using hig..:

Mehl, Michael J. ; Ronquillo, Mateo ; Hicks, David...
Physical Review Materials. 5 (2021) 8 - p. , 2021

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

9

A tool to check whether a symmetry-compensated collinear ma..:

Smolyanyuk, Andriy ; Šmejkal, Libor ; Mazin, Igor I
http://arxiv.org/abs/2401.08784. , 2024

Link: http://arxiv.org/abs/240..

10

Local symmetry groups for arbitrary wavevectors:

Maggio, Emanuele ; Smolyanyuk, Andriy ; Tomczak, Jan M
http://arxiv.org/abs/2310.13568. , 2023

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

11

Pb10−xCux(PO4)6O: a Mott or charge transfer insulator in ne..:

Si, Liang ; Wallerberger, Markus ; Smolyanyuk, Andriy...
Si , L , Wallerberger , M , Smolyanyuk , A , di Cataldo , S , Tomczak , J & Held , K 2023 , ' Pb10−xCux(PO4)6O: a Mott or charge transfer insulator in need of further doping for (super)conductivity ' , Journal of Physics: Condensed Matter , vol. 36 , no. 6 , 065601 . https://doi.org/10.1088/1361-648X/ad0673. , 2023

Link: https://kclpure.kcl.ac.u..

12

Local symmetry groups for arbitrary wavevectors:

Maggio, Emanuele ; Smolyanyuk, Andriy ; Tomczak, Jan
Maggio , E , Smolyanyuk , A & Tomczak , J 2023 , ' Local symmetry groups for arbitrary wavevectors ' , Journal Of Physics A-Mathematical And Theoretical , vol. 56 , no. 45 , 455307 . https://doi.org/10.1088/1751-8121/ad0011. , 2023

Link: https://kclpure.kcl.ac.u..

13

Pb$_{10-x}$Cu$_x$(PO$_4$)$_6$O: a Mott or charge transfer i..:

Si, Liang ; Wallerberger, Markus ; Smolyanyuk, Andriy...
http://arxiv.org/abs/2308.04427. , 2023

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

14

RuO$_2$: a puzzle to be solved:

Smolyanyuk, Andriy ; Mazin, Igor I ; Garcia-Gassull, Laura.
http://arxiv.org/abs/2310.06909. , 2023

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

15

Roadmap on Machine learning in electronic structure:

Kulik, Heather J ; Hammerschmidt, Thomas ; Schmidt, J...
2516-1075. , 2022

Link: https://depositonce.tu-b..