| | Preview | Author(s) | Title | Type | Issue Date |
| 1 | | Schubert, 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 evolution | Artikel Article | 2021 |
| 2 | | Patra, Abhilash ; Jana, Subrata ; Samal, Prasanjit ; Tran, Fabien ; Kalantari, Leila ; Doumont, Jan ; Blaha, Peter | Efficient Band Structure Calculation of Two-Dimensional Materials from Semilocal Density Functionals | Artikel Article | 2021 |
| 3 | | Kalantari, Leila ; Tran, Fabien ; Blaha, Peter | Density analysis for estimating the degree of on-site correlation on transition-metal atoms in extended systems | Artikel Article | 2021 |
| 4 | | Kalantari, Leila ; Tran, Fabien ; Blaha, Peter | Density Functional Theory Study of Metal and Metal-Oxide Nucleation and Growth on the Anatase TiO₂(101) Surface | Artikel Article | 2021 |
| 5 | | Tran, 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 functionals | Artikel Article | 2021 |
| 6 | | Schubert, 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 evolution | Präsentation Presentation | 2021 |
| 7 | | Kalantari, Leila ; Blaha, Peter | Water adsorption on the CuOₓ and NiOₓ attached to the Anatase TiO2(101) surface by DFT Calculation | Präsentation Presentation | 2020 |
| 8 | | Kalantari, Leila ; Blaha, Peter | Water adsorption on CuOₓ and NiOₓ attached to the anatase (101) surface by DFT calculations | Präsentation Presentation | 2019 |
| 9 | | Tran, 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 directions | Artikel Article | 2019 |
| 10 | | Tran, Fabien ; Kalantari, Leila ; Traoré, Boubacar ; Rocquefelte, Xavier ; Blaha, Peter | Nonlocal van der Waals functionals for solids: Choosing an appropriate one | Artikel Article | 2019 |
| 11 | | Blaha, Peter ; Kalantari, Leila ; Tran, F | Nonlocal van der Waals functionals: Which one to use ? | Präsentation Presentation | 2019 |
| 12 | | Kalantari, 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 Calculations | Präsentation Presentation | 2019 |
| 13 | | Kalantari, Leila ; Tran, F ; Blaha, Peter | Testing Nonlocal van der Waals Functionals for Layered Materials | Präsentation Presentation | 2018 |
| 14 | | Kalantari, Leila ; Tran, F ; Blaha, Peter | Test and analysis of nonlocal van der Waals density functionals for solids | Präsentation Presentation | 2018 |
| 15 | | Tran, 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 solids | Artikel Article | 2018 |
| 16 | | Kalantari, Leila ; Blaha, Peter | Study of Y NMR shielding in intermetallic Yttrium compounds | Präsentation Presentation | 2017 |
| 17 | | Kalantari, Leila ; Blaha, Peter | Computational study of Y NMR shielding in intermetallic yttrium compounds | Präsentation Presentation | 2017 |
| 18 | | Kalantari, Leila ; Blaha, Peter | Computational study of Y NMR shielding in intermetallic Y compounds | Präsentation Presentation | 2017 |
| 19 | | Kalantari, Leila ; Blaha, Peter ; Khoo, Khoong Hong ; Laskowski, Robert | Computational Study of Y NMR Shielding in Intermetallic Yttrium Compounds | Artikel Article | 2017 |