| 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 | 278 | 2020 |
| Spectroscopy in complex environments from QM–MM simulations UN Morzan, DJ Alonso de Armino, NO Foglia, F Ramirez, ... Chemical reviews 118 (7), 4071-4113, 2018 | 185 | 2018 |
| Electron dynamics in complex environments with real-time time dependent density functional theory in a QM-MM framework UN Morzan, FF Ramírez, MB Oviedo, CG Sánchez, DA Scherlis, ... The Journal of chemical physics 140 (16), 2014 | 50 | 2014 |
| Electron transport in real time from first-principles UN Morzan, FF Ramírez, MC González Lebrero, DA Scherlis The Journal of Chemical Physics 146 (4), 2017 | 27 | 2017 |
| Brokering between tenants for an international materials acceleration platform M Vogler, J Busk, H Hajiyani, PB Jørgensen, N Safaei, IE Castelli, ... Matter 6 (9), 2647-2665, 2023 | 26 | 2023 |
| 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 |
| Driven Liouville–von Neumann equation for quantum transport and multiple-probe Green’s functions F Ramirez, D Dundas, CG Sánchez, DA Scherlis, TN Todorov The Journal of Physical Chemistry C 123 (20), 12542-12555, 2019 | 11 | 2019 |
| QM–MM Ehrenfest dynamics from first principles: photodissociation of diazirine in aqueous solution F Ramírez, G Díaz Mirón, MC González Lebrero, DA Scherlis Theoretical Chemistry Accounts 137 (9), 124, 2018 | 8 | 2018 |
| Multiscale approach to electron transport dynamics CM Bustamante, FF Ramírez, CG Sánchez, DA Scherlis The Journal of Chemical Physics 151 (8), 2019 | 7 | 2019 |
| AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance. Sci Data 7: 300 SP Huber, S Zoupanos, M Uhrin, L Talirz, L Kahle, R Häuselmann, ... | 6 | 2020 |
| Transport and spectroscopy in conjugated molecules: Two properties and a single rationale FF Ramirez, CM Bustamente, MC Gonzalez Lebrero, DA Scherlis Journal of Chemical Theory and Computation 16 (5), 2930-2940, 2020 | 4 | 2020 |
| A bridge between trust and control: computational workflows meet automated battery cycling P Kraus, E Bainglass, FF Ramirez, E Svaluto-Ferro, L Ercole, B Kunz, ... Journal of Materials Chemistry A 12 (18), 10773-10783, 2024 | 3 | 2024 |
| Autonomous battery optimisation by deploying distributed experiments and simulations M Vogler, S Steensen, F Ramirez, L Merker, J Busk, JM Carlsson, ... | 2 | 2024 |
| Virtual teaching laboratories–hands-on at a distance R Kobayashi, TPM Gouman, NO Carstensen, TM Soini, N Marzari, ... | | 2021 |
| DFT exercises for Quantum Mobile First-principles calculations of the electronic properties of materials: The case study of bulk sodium chloride D Grassano, F Ramirez, N Rivano, L Binci, S Poncé, E Linscott, I Timrov, ... | | 2021 |
| D10. 4–Tiered theory and experiment screening pipeline as first test case for automatic reasoning calibration HS Stein, M Vogler, FF Ramirez, LH Flores, L Merker, SK Steensen, ... | | |
| Procesos electrónicos no adiabáticos mediante la teoría del funcional de la densidad dependiente del tiempo FF Ramírez Universidad de Buenos Aires, 0 | | |
| Group ID U12411 CW Andersen, O Andreussi, F Aquilante, O Arbelaez, RJN Baldock, ... | | |
| Films electrocrómicos de Ni (OH) 2 LH Di Stefano, CA Gómez, MD Gómez Elías, A Millet, YA Pérez Sirkin, ... | | |