Sofia Calero
Technische Universiteit Eindhoven
H-index: 59
Europe-Netherlands
Top articles of Sofia Calero
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
How fast do defects migrate in halide perovskites: insights from on-the-fly machine-learned force fields (vol 59, pg 4660, 2023) | Chemical Communications | Mike Pols Victor Brouwers Sofia Calero Shuxia Tao | 2023 |
Computing solubility and thermodynamic properties of H2O2 in water | Journal of Molecular Liquids | Tijin HG Saji José Manuel Vicent-Luna Thijs JH Vlugt Sofía Calero Behnaz Bagheri | 2024/5/1 |
Mixing I and Br in Inorganic Perovskites: Atomistic Insights from Reactive Molecular Dynamics Simulations | The Journal of Physical Chemistry C | Mike Pols Adri CT van Duin Sofía Calero Shuxia Tao | 2024/2/23 |
Understanding the role of open metal sites in MOFs for the efficient separation of benzene/cyclohexane mixtures | arXiv preprint arXiv:2402.04402 | C González-Galán RM Madero-Castro A Luna-Triguero JM Vicent-Luna S Calero | 2024/2/6 |
A simulation study of linker vacancy distribution and its effect on UiO-66 stability | Microporous and Mesoporous Materials | Esteban Acuna-Yeomans Juan José Gutiérrez-Sevillano David Dubbeldam Sofia Calero | 2024/2/15 |
Equivariant Parameter Sharing for Porous Crystalline Materials | Marko Petković Pablo Romero Marimon Vlado Menkovski Sofía Calero | 2024/4/16 | |
Correction: How fast do defects migrate in halide perovskites: insights from on-the-fly machine-learned force fields | Chemical Communications | Mike Pols Victor Brouwers Sofía Calero Shuxia Tao | 2024 |
Halogen-Decorated Metal–Organic Frameworks for Efficient and Selective CO2 Capture, Separation, and Chemical Fixation with Epoxides under Mild Conditions | ACS Applied Materials & Interfaces | Anirban Karmakar Andreia ACD Santos Noemi Pagliaricci João Pires Mary Batista | 2024/4/11 |
Alcohol-based adsorption heat pumps using hydrophobic metal–organic frameworks | Journal of Materials Chemistry A | RM Madero-Castro Azahara Luna-Triguero Carmen González-Galán José Manuel Vicent-Luna Sofía Calero | 2024 |
Zeolite Adsorption Property Prediction using Deep Learning | arXiv preprint arXiv:2403.12659 | Marko Petković José Manuel Vicent-Luna Vlado Menkovski Sofía Calero | 2024/3/19 |
The impact of metal centers in the M-MOF-74 series on carbon dioxide and hydrogen separation | Separation and Purification Technology | Dominika O Wasik José Manuel Vicent-Luna Azahara Luna-Triguero David Dubbeldam Thijs JH Vlugt | 2024/7/2 |
Analyzing the boundaries of current flexible force fields for the temperature dependent orthorhombic-monoclinic phase transition of MFI | Nick van Dongen Sofía Calero Juan José Gutiérrez-Sevillano | 2023/6/29 | |
Adapted Thermodynamical Model for the Prediction of Adsorption in Nanoporous Materials | arXiv preprint arXiv:2310.15885 | F Stavarache A Luna-Triguero S Calero JM Vicent-Luna | 2023/10/24 |
Equivariant Networks for Porous Crystalline Materials | arXiv preprint arXiv:2304.01628 | Marko Petković Pablo Romero-Marimon Vlado Menkovski Sofia Calero | 2023/4/4 |
Adsorption of Carbon Dioxide in Non-Löwenstein Zeolites | Chemistry of Materials | Pablo Romero-Marimon Juan José Gutiérrez-Sevillano Sofia Calero | 2023/6/27 |
Modelling of adsorbate-size dependent explicit isotherms using a segregated approach to account for surface heterogeneities | Molecular Physics | Shrinjay Sharma Marcello S Rigutto Richard Baur Umang Agarwal Erik Zuidema | 2023/10/18 |
On the use of Water and Methanol with Zeolites for Heat Transfer | ACS Sustainable Chemistry & Engineering | Rafael M Madero-Castro Azahara Luna-Triguero Andrzej Sławek José Manuel Vicent-Luna Sofia Calero | 2023/3/8 |
The Boost of Toluene Capture in UiO-66 Triggered by Structural Defects or Air Humidity | The Journal of Physical Chemistry Letters | Gabriela Jajko Juan José Gutiérrez Sevillano Sofia Calero Wacław Makowski Paweł Kozyra | 2023/6/13 |
How Bromine Stabilizes CsPbI: Atomistic Insights from Reactive Molecular Dynamics Simulations | arXiv preprint arXiv:2309.09588 | Mike Pols Adri CT van Duin Sofía Calero Shuxia Tao | 2023/9/18 |
Ammonia and water in zeolites: Effect of aluminum distribution on the heat of adsorption | Separation and Purification Technology | Botagoz Zhakisheva Juan José Gutiérrez-Sevillano Sofía Calero | 2023/2/1 |
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