On-surface synthesis of graphene nanoribbons with zigzag edge topology P Ruffieux, S Wang, B Yang, C Sánchez-Sánchez, J Liu, T Dienel, L Talirz, ... Nature 531 (7595), 489-492, 2016 | 1409 | 2016 |
Graphene nanoribbon heterojunctions J Cai, CA Pignedoli, L Talirz, P Ruffieux, H Söde, L Liang, V Meunier, ... Nature nanotechnology 9 (11), 896-900, 2014 | 655 | 2014 |
On‐surface synthesis of atomically precise graphene nanoribbons L Talirz, P Ruffieux, R Fasel Advanced materials 28 (29), 6222-6231, 2016 | 516 | 2016 |
Materials Cloud, a platform for open computational science L Talirz, S Kumbhar, E Passaro, AV Yakutovich, V Granata, F Gargiulo, ... Scientific data 7 (1), 299, 2020 | 332 | 2020 |
On-surface synthesis and characterization of 9-atom wide armchair graphene nanoribbons L Talirz, H Söde, T Dumslaff, S Wang, JR Sanchez-Valencia, J Liu, ... ACS nano 11 (2), 1380-1388, 2017 | 326 | 2017 |
Giant edge state splitting at atomically precise graphene zigzag edges S Wang, L Talirz, CA Pignedoli, X Feng, K Müllen, R Fasel, P Ruffieux Nature communications 7 (1), 1-6, 2016 | 287 | 2016 |
Termini of bottom-up fabricated graphene nanoribbons L Talirz, H Söde, J Cai, P Ruffieux, S Blankenburg, R Jafaar, R Berger, ... Journal of the American Chemical Society 135 (6), 2060-2063, 2013 | 273 | 2013 |
AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance SP Huber, S Zoupanos, M Uhrin, L Talirz, L Kahle, R Häuselmann, ... Scientific data 7 (1), 300, 2020 | 262 | 2020 |
Capturing chemical intuition in synthesis of metal-organic frameworks SM Moosavi, A Chidambaram, L Talirz, M Haranczyk, KC Stylianou, ... Nature communications 10 (1), 539, 2019 | 224 | 2019 |
In silico design of 2D and 3D covalent organic frameworks for methane storage applications R Mercado, RS Fu, AV Yakutovich, L Talirz, M Haranczyk, B Smit Chemistry of Materials 30 (15), 5069-5086, 2018 | 152 | 2018 |
Electronic band dispersion of graphene nanoribbons via Fourier-transformed scanning tunneling spectroscopy H Söde, L Talirz, O Gröning, CA Pignedoli, R Berger, X Feng, K Müllen, ... Physical Review B 91 (4), 045429, 2015 | 138 | 2015 |
Building a consistent and reproducible database for adsorption evaluation in covalent–organic frameworks D Ongari, AV Yakutovich, L Talirz, B Smit ACS central science 5 (10), 1663-1675, 2019 | 137 | 2019 |
Toward GW Calculations on Thousands of Atoms J Wilhelm, D Golze, L Talirz, J Hutter, CA Pignedoli The journal of physical chemistry letters 9 (2), 306-312, 2018 | 137 | 2018 |
OPTIMADE, an API for exchanging materials data CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ... Scientific data 8 (1), 217, 2021 | 97 | 2021 |
Too many materials and too many applications: an experimental problem waiting for a computational solution D Ongari, L Talirz, B Smit ACS central science 6 (11), 1890-1900, 2020 | 97 | 2020 |
On-surface synthesis of BN-substituted heteroaromatic networks C Sánchez-Sánchez, S Brüller, H Sachdev, K Müllen, M Krieg, ... ACS nano 9 (9), 9228-9235, 2015 | 91 | 2015 |
AiiDAlab–an ecosystem for developing, executing, and sharing scientific workflows AV Yakutovich, K Eimre, O Schütt, L Talirz, CS Adorf, CW Andersen, ... Computational Materials Science 188, 110165, 2021 | 64 | 2021 |
In silico discovery of covalent organic frameworks for carbon capture KS Deeg, D Damasceno Borges, D Ongari, N Rampal, L Talirz, ... ACS applied materials & interfaces 12 (19), 21559-21568, 2020 | 54 | 2020 |
Band gap of atomically precise graphene nanoribbons as a function of ribbon length and termination L Talirz, H Söde, S Kawai, P Ruffieux, E Meyer, X Feng, K Müllen, R Fasel, ... ChemPhysChem 20 (18), 2348-2353, 2019 | 41 | 2019 |
Virtual computational chemistry teaching laboratories—hands-on at a distance R Kobayashi, TPM Goumans, NO Carstensen, TM Soini, N Marzari, ... Journal of Chemical Education 98 (10), 3163-3171, 2021 | 26 | 2021 |