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Publications information icon
Roadmap on methods and software for
electronic
structure
based simulations in chemistry and materials
Peer-reviewed
Open access
DOI
10.1088/2516-1075/ad48ec
Blum, Volker; Asahi, Ryoji; Autschbach, Jochen; Bannwarth, Christoph; Bihlmayer, Gustav; Bluegel, St...
Electronic
structure
2024
Publications information icon
Importance profiles. Visualization of atomic basis set requirements
Peer-reviewed
Open access
DOI
10.1088/2516-1075/ad31ca
Lehtola, Susi
Electronic
structure
2024
Publications information icon
Roadmap on Machine learning in
electronic
structure
Peer-reviewed
Open access
DOI
10.1088/2516-1075/ac572f
Kulik H.J., Hammerschmidt T., Schmidt J., Botti S., Marques M.A.L., Boley M., Scheffler M., Todorovi...
Electronic
structure
2022
Publications information icon
Electronic
properties of two dimensional PtSSe/SrTiO3 Janus Van der Waals hetero
structure
s
Peer-reviewed
DOI
10.1088/2516-1075/ad0d82
Albar, Arwa; Sudheer, Anjana E.; Murali, D.; Aravindh, S. Assa
Electronic
structure
2023
Publications information icon
Modified HSE06 functional applied to anatase TiO2: influence of exchange fraction on the quasiparticle
electronic
structure
and optical response
Peer-reviewed
DOI
10.1088/2516-1075/ac8f03
S B, Sruthil lal; D, Murali; Posselt, Matthias; Sasikala Devi, Assa Aravindh; Sharan, Alok
Electronic
structure
2022
Publications information icon
Electronic
and structural properties of atomically thin metallenes
Peer-reviewed
DOI
10.1088/2516-1075/adb4b5
Abidi, Kameyab Raza; Koskinen, Pekka
Electronic
Structure
2025
Publications information icon
Electronic
structure
and quantum dynamics of solids
Puska, M.; von Boehm, J.
CSC News
2000
Publications information icon
Electronic
structure
and positron trapping in semiconductors
Peer-reviewed
Nieminen, R.
Materials Science
1995
Publications information icon
Electronic
structure
of solids and surfaces
Peer-reviewed
Nieminen, Risto
-
1994
Publications information icon
Multigrid method for
electronic
structure
calculations
Peer-reviewed
Open access
DOI
10.1103/PhysRevB.63.245106
Heiskanen, M.; Puska, M.J.; Nieminen, R.M.
Physical Review B
2001
Roadmap on methods and software for
electronic
structure
based simulations in chemistry and materials
Peer-reviewed
Open access
DOI
10.1088/2516-1075/ad48ec
2024
Importance profiles. Visualization of atomic basis set requirements
Peer-reviewed
Open access
DOI
10.1088/2516-1075/ad31ca
2024
Roadmap on Machine learning in
electronic
structure
Peer-reviewed
Open access
DOI
10.1088/2516-1075/ac572f
2022
Electronic
properties of two dimensional PtSSe/SrTiO3 Janus Van der Waals hetero
structure
s
Peer-reviewed
DOI
10.1088/2516-1075/ad0d82
2023
Modified HSE06 functional applied to anatase TiO2: influence of exchange fraction on the quasiparticle
electronic
structure
and optical response
Peer-reviewed
DOI
10.1088/2516-1075/ac8f03
2022
Electronic
and structural properties of atomically thin metallenes
Peer-reviewed
DOI
10.1088/2516-1075/adb4b5
2025
Electronic
structure
and quantum dynamics of solids
2000
Electronic
structure
and positron trapping in semiconductors
Peer-reviewed
1995
Electronic
structure
of solids and surfaces
Peer-reviewed
1994
Multigrid method for
electronic
structure
calculations
Peer-reviewed
Open access
DOI
10.1103/PhysRevB.63.245106
2001
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