14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon KM Jablonka, Q Ai, A Al-Feghali, S Badhwar, JD Bocarsly, AM Bran, ... Digital discovery 2 (5), 1233-1250, 2023 | 133 | 2023 |
A data-science approach to predict the heat capacity of nanoporous materials SM Moosavi, BÁ Novotny, D Ongari, E Moubarak, M Asgari, Ö Kadioglu, ... Nature materials 21 (12), 1419-1425, 2022 | 86 | 2022 |
Surface-functionalized silica aerogels and alcogels for methylene blue adsorption N Saad, M Al-Mawla, E Moubarak, M Al-Ghoul, H El-Rassy Rsc Advances 5 (8), 6111-6122, 2015 | 65 | 2015 |
A holistic platform for accelerating sorbent-based carbon capture C Charalambous, E Moubarak, J Schilling, E Sanchez Fernandez, ... Nature 632 (8023), 89-94, 2024 | 26 | 2024 |
Shedding Light on the Stakeholders' Perspectives for Carbon Capture C Charalambous, E Moubarak, J Schilling, ES Fernandez, JY Wang, ... | 9 | 2023 |
A robust framework for generating adsorption isotherms to screen materials for carbon capture E Moubarak, SM Moosavi, C Charalambous, S Garcia, B Smit Industrial & Engineering Chemistry Research 62 (26), 10252-10265, 2023 | 7 | 2023 |
Advanced methodology for screening of novel adsorption materials for cost-efficient CO2 capture L Riboldi, C Charalambous, E Moubarak, R Anantharaman, ... Proceedings of the 15th Greenhouse Gas Control Technologies Conference, 15-18, 2021 | 7 | 2021 |
A refined set of universal force field parameters for some metal nodes in metal–organic frameworks Y Li, X Jin, E Moubarak, B Smit Journal of chemical theory and computation 20 (23), 10540-10552, 2024 | 3 | 2024 |
Can we systematically rank the performance of any existing material for sorbent-based carbon capture? C Charalambous, E Moubarak, E Sanchez-Fernandez, J Schilling, ... Proceedings of the 16th Greenhouse Gas Control Technologies Conference (GHGT …, 2022 | 2 | 2022 |
Can we systematically screen millions of chemical structures for cost-effective carbon capture? C Charalambou, F Mcilwaine, E Moubarak, B Smit, S Garcia GRUPO ESPANOL CARBON, 2021 | 2 | 2021 |
Shedding Light on Stakeholders' Perspectives for Sorbent-based Carbon Capture C Charalambous, E Moubarak, J Schilling, ES Fernandez, JY Wang, ... Nature 632 (8023), 89-94, 2024 | 1 | 2024 |
Methane adsorption isotherms for mof structures from the prisma database E Moubarak, S Garcia, B Smit | 1 | 2024 |
Towards a Robust Evaluation of Nanoporous Materials for Carbon Capture Applications E Moubarak, SM Moosavi, C Charalambous, S Garcia, B Smit Available at SSRN 4150348, 2022 | 1 | 2022 |
CO2 recovery from ultra-dilute streams: Bridging a novel temperature vacuum swing adsorption model with materials screening C Charalambous, SM Moosavi, B Smit, S Garcia, E Moubarak, ... 2020 AIChE Annual Meeting, 2020 | 1 | 2020 |
MOFChecker: An algorithm for Validating and Correcting Metal-Organic Framework (MOF) Structures JIN Xin, K Jablonka, E Moubarak, Y Li, B Smit | | 2025 |
Unraveling metal effects on CO2 uptake in pyrene-based metal-organic frameworks N P. Domingues, MJ Pougin, Y Li, E Moubarak, X Jin, FP Uran, ... Nature Communications 16 (1), 1516, 2025 | | 2025 |
Crossing the Valley of Death: A Holistic Approach to Assess the Potential of Sorbent-Based Carbon Capture Technologies JY Wang, C Charalambous, SB Peh, L Herraiz, F Mcilwaine, M Garvin, ... | | 2024 |
Prediction of Adsorption Properties using Classical Density Functional Theory V Dufour-Décieux, M Granderath, P Rehner, E Moubarak, J Gross, ... 28thThermodynamics Conference 2024, 2024 | | 2024 |
Nonuniform Chiralization of Metal–Organic Frameworks Using Imine Chemistry BÁ Novotny, S Majumdar, A Ortega-Guerrero, KM Jablonka, E Moubarak, ... ACS Materials Au, 2024 | | 2024 |
Classical density functional theory as a fast and accurate method for adsorption property prediction of porous materials V Dufour‐Décieux, P Rehner, J Schilling, E Moubarak, J Gross, A Bardow AIChE Journal, e18779, 2024 | | 2024 |