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Full name Familienname, Vorname
Kalantari, Leila
 
Main Affiliation Organisations­zuordnung
 

Own Publications Eigene Publikationen

Results 1-20 of 23 (Search time: 0.016 seconds).

PreviewAuthor(s)TitleTypeIssue Date
1Schubert, Jasmin ; Kalantari, Leila ; Lechner, Andreas ; Giesriegl, Ariane ; Nandan, Sreejith P. ; Ayala Leiva, Pablo ; Kashiwaya, Shun ; Sauer, Markus ; Foelske-Schmitz, Annette ; Rosén, Johanna ; Blaha, Peter ; Cherevan, Alexey ; Eder, Dominik Elucidating the formation and active state of Cu co-catalysts for photocatalytic hydrogen evolutionArtikel Article 2021
2Kalantari Leila - 2021 - Development test and application of DFT-based methods...pdf.jpgKalantari, Leila Development, test and application of DFT-based methods for low dimensional systemsThesis Hochschulschrift 2021
3Patra, Abhilash ; Jana, Subrata ; Samal, Prasanjit ; Tran, Fabien ; Kalantari, Leila ; Doumont, Jan ; Blaha, Peter Efficient Band Structure Calculation of Two-Dimensional Materials from Semilocal Density FunctionalsArtikel Article 2021
4Kalantari, Leila ; Tran, Fabien ; Blaha, Peter Density analysis for estimating the degree of on-site correlation on transition-metal atoms in extended systemsArtikel Article 2021
5Kalantari, Leila ; Tran, Fabien ; Blaha, Peter Density Functional Theory Study of Metal and Metal-Oxide Nucleation and Growth on the Anatase TiO₂(101) SurfaceArtikel Article 2021
6Tran, Fabien ; Doumont, Jan ; Kalantari, Leila ; Blaha, Peter ; Rauch, Thomas ; Borlido, Pedro ; Botti, Silvana ; Marques, Miguel A. L. ; Patra, Abhilash ; Jana, Subrata ; Samal, Prasanjit Bandgap of two-dimensional materials: Thorough assessment of modern exchange-correlation functionalsArtikel Article 2021
7Schubert, Jasmin ; Kalantari, Leila ; Lechner, Andreas ; Giesriegl, Ariane ; Nandan, Sreejith P. ; Ayala Leiva, Pablo ; Kashiwaya, Shun ; Sauer, Markus ; Foelske-Schmitz, Annette ; Rosén, Johanna ; Blaha, Peter ; Cherevan, Alexey ; Eder, Dominik Elucidating the formation and active state of Cu co-catalysts for photocatalytic hydrogen evolutionPräsentation Presentation2021
8Kalantari, Leila ; Blaha, Peter Water adsorption on the CuOₓ and NiOₓ attached to the Anatase TiO2(101) surface by DFT CalculationPräsentation Presentation2020
9Kalantari, Leila ; Blaha, Peter Water adsorption on CuOₓ and NiOₓ attached to the anatase (101) surface by DFT calculationsPräsentation Presentation2019
10Tran, Fabien ; Doumont, Jan ; Kalantari, Leila ; Huran, Ahmad W. ; Marques, Miguel A. L. ; Blaha, Peter Semilocal exchange-correlation potentials for solid-state calculations: Current status and future directionsArtikel Article 2019
11Tran, Fabien ; Kalantari, Leila ; Traoré, Boubacar ; Rocquefelte, Xavier ; Blaha, Peter Nonlocal van der Waals functionals for solids: Choosing an appropriate oneArtikel Article 2019
12Blaha, Peter ; Kalantari, Leila ; Tran, F Nonlocal van der Waals functionals: Which one to use ?Präsentation Presentation2019
13Kalantari, Leila ; Schubert, Jasmin ; Cherevan, Alexey ; Eder, Dominik ; Blaha, Peter Water Adsorbtion on CuOₓ and NiOₓ clusters Attached to the Anatase TiO₂(101) Surface by DFT CalculationsPräsentation Presentation2019
14Kalantari, Leila Water adsorption on CuOₓ and NiOₓ clusters attached to anatasePräsentation Presentation2018
15Kalantari, Leila ; Tran, F ; Blaha, Peter Testing Nonlocal van der Waals Functionals for Layered MaterialsPräsentation Presentation2018
16Kalantari, Leila ; Tran, F ; Blaha, Peter Test and analysis of nonlocal van der Waals density functionals for solidsPräsentation Presentation2018
17Tran, Fabien ; Kovács, Péter ; Kalantari, Leila ; Madsen, Georg K. H. ; Blaha, Peter Orbital-free approximations to the kinetic-energy density in exchange-correlation MGGA functionals: Tests on solidsArtikel Article 2018
18Kalantari, Leila ; Blaha, Peter Study of Y NMR shielding in intermetallic Yttrium compoundsPräsentation Presentation2017
19Kalantari, Leila ; Blaha, Peter Computational study of Y NMR shielding in intermetallic yttrium compoundsPräsentation Presentation2017
20Kalantari, Leila Computational study of NMR shielding in intermetallic yttrium compoundsPräsentation Presentation2017