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Schütt, Ole
88
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Online (88)
Mediatypes
E-Books (1)
Articles (Online) (11)
Bookchapter (Online) (2)
OpenAccess-fulltext (74)
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1
Sparse tensor based nuclear gradients for periodic Hartree–..:
Bussy, Augustin
;
Schütt, Ole
;
Hutter, Jürg
The Journal of Chemical Physics. 158 (2023) 16 - p. , 2023
Link:
https://doi.org/10.1063/..
?
2
Towards electronic structure-based ab-initio molecular dyna..:
Schade, Robert
;
Kenter, Tobias
;
Elgabarty, Hossam
...
Parallel Computing. 111 (2022) - p. 102920 , 2022
Link:
https://doi.org/10.1016/..
?
3
AiiDAlab – an ecosystem for developing, executing, and shar..:
Yakutovich, Aliaksandr V.
;
Eimre, Kristjan
;
Schütt, Ole
...
Computational Materials Science. 188 (2021) - p. 110165 , 2021
Link:
https://doi.org/10.1016/..
?
4
CP2K: An electronic structure and molecular dynamics softwa..:
Kühne, Thomas D.
;
Iannuzzi, Marcella
;
Del Ben, Mauro
...
The Journal of Chemical Physics. 152 (2020) 19 - p. , 2020
Link:
https://doi.org/10.1063/..
?
5
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/..
?
6
Machine Learning Adaptive Basis Sets for Efficient Large Sc..:
Schütt, Ole
;
VandeVondele, Joost
Journal of Chemical Theory and Computation. 14 (2018) 8 - p. 4168-4175 , 2018
Link:
https://doi.org/10.1021/..
?
7
The atomic simulation environment—a Python library for work..:
Hjorth Larsen, Ask
;
Jørgen Mortensen, Jens
;
Blomqvist, Jakob
...
Journal of Physics: Condensed Matter. 29 (2017) 27 - p. 273002 , 2017
Link:
https://doi.org/10.1088/..
?
8
Increasing the Efficiency of Sparse Matrix-Matrix Multiplic..:
, In:
Proceedings of the Platform for Advanced Scientific Computing Conference
,
Lazzaro, Alfio
;
VandeVondele, Joost
;
Hutter, Jürg
. - p. 1-9 , 2017
Link:
https://dl.acm.org/doi/1..
?
9
Enabling simulation at the fifth rung of DFT: Large scale R..:
Del Ben, Mauro
;
Schütt, Ole
;
Wentz, Tim
...
Computer Physics Communications. 187 (2015) - p. 120-129 , 2015
Link:
https://doi.org/10.1016/..
?
10
ZIBgridfree: efficient conformational analysis by partition..:
Bujotzek, Alexander
;
Schütt, Ole
;
Nielsen, Adam
..
Journal of Mathematical Chemistry. 52 (2013) 3 - p. 781-804 , 2013
Link:
https://doi.org/10.1007/..
?
11
Spectroscopic fingerprints of toroidal nuclear quantum delo..:
Schütt, Ole
;
Sebastiani, Daniel
Journal of Computational Chemistry. 34 (2012) 10 - p. 827-835 , 2012
Link:
https://doi.org/10.1002/..
?
12
Roadmap on electronic structure codes in the exascale era:
Gavini, Vikram
;
Baroni, Stefano
;
Blum, Volker
...
info:eu-repo/semantics/altIdentifier/wos/WOS:001043836900001. , 2023
Link:
https://hdl.handle.net/1..
?
13
Roadmap on electronic structure codes in the exascale era:
Gavini, Vikram
;
Baroni, Stefano
;
Blum, Volker
...
boreal:284101. , 2023
Link:
http://hdl.handle.net/20..
?
14
Roadmap on electronic structure codes in the exascale era:
Gavini, Vikram
;
Baroni, Stefano
;
Blum, Volker
...
boreal:284101. , 2023
Link:
http://hdl.handle.net/20..
?
15
CP2K on the road to exascale:
Kühne, Thomas D
;
Plessl, Christian
;
Schade, Robert
.
http://arxiv.org/abs/2205.14741. , 2022
Link:
http://arxiv.org/abs/220..
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