Sofía Calero (S Calero, Sofia Calero)

Scopus Author ID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2015-2024
Publications (10 Years): 43

Top Topics

Molecular Dynamics

Perovskite Solar Cells

Metal Organic Framework

Top Venues

ACS applied materials & interfaces

The journal of physical chemistry letters

Chemphyschem : a European journal of chemical physics and physical chemistry

Chemistry (Weinheim an der Bergstrasse, Germany)

This page only lists publications with an associated author ORCID identifier.

Publications

Dominika O Wasik, Jose Manuel Vicent-Luna, Shima Rezaie, Azahara Luna-Triguero, Thijs J H Vlugt, Sofía Calero
The Impact of Metal Centers in the M-MOF-74 Series on Formic Acid Production. ACS applied materials & interfaces 16 (34) (2024)
Dominika O Wasik, Jose Manuel Vicent-Luna, Shima Rezaie, Azahara Luna-Triguero, Thijs J H Vlugt, Sofía Calero
The Impact of Metal Centers in the M-MOF-74 Series on Formic Acid Production. ACS applied materials & interfaces 16 (34) (2024)
Mike Pols, Geert Brocks, Sofía Calero, Shuxia Tao
Temperature-Dependent Chirality in Halide Perovskites. The journal of physical chemistry letters (2024)
Mike Pols, Geert Brocks, Sofía Calero, Shuxia Tao
Temperature-Dependent Chirality in Halide Perovskites. The journal of physical chemistry letters 15 (31) (2024)
Mike Pols, Victor Brouwers, Sofía Calero, Shuxia Tao
Correction: How fast do defects migrate in halide perovskites: insights from on-the-fly machine-learned force fields. Chemical communications (Cambridge, England) (2024)
Mike Pols, Geert Brocks, Sofía Calero, Shuxia Tao
Temperature-Dependent Chirality in Halide Perovskites. The journal of physical chemistry letters 15 (31) (2024)
Mike Pols, Adri C T van Duin, Sofía Calero, Shuxia Tao
Mixing I and Br in Inorganic Perovskites: Atomistic Insights from Reactive Molecular Dynamics Simulations. The journal of physical chemistry. C, Nanomaterials and interfaces 128 (9) (2024)
Dominika O Wasik, Jose Manuel Vicent-Luna, Shima Rezaie, Azahara Luna-Triguero, Thijs J H Vlugt, Sofía Calero
The Impact of Metal Centers in the M-MOF-74 Series on Formic Acid Production. ACS applied materials & interfaces (2024)
Mike Pols, Adri C T van Duin, Sofía Calero, Shuxia Tao
Mixing I and Br in Inorganic Perovskites: Atomistic Insights from Reactive Molecular Dynamics Simulations. The journal of physical chemistry. C, Nanomaterials and interfaces 128 (9) (2024)
Dominika O Wasik, Jose Manuel Vicent-Luna, Shima Rezaie, Azahara Luna-Triguero, Thijs J H Vlugt, Sofía Calero
The Impact of Metal Centers in the M-MOF-74 Series on Formic Acid Production. ACS applied materials & interfaces 16 (34) (2024)
Shrinjay Sharma, Josh J Sleijfer, Jeroen Op de Beek, Stach van der Zeeuw, Daniil Zorzos, Silvia Lasala, Marcello S Rigutto, Erik Zuidema, Umang Agarwal, Richard Baur, Sofía Calero, David Dubbeldam, Thijs J H Vlugt
Prediction of Thermochemical Properties of Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization. The journal of physical chemistry. B (2024)
Mike Pols, Geert Brocks, Sofía Calero, Shuxia Tao
Temperature-Dependent Chirality in Halide Perovskites. The journal of physical chemistry letters 15 (31) (2024)
Mike Pols, Victor Brouwers, Sofía Calero, Shuxia Tao
Correction: How fast do defects migrate in halide perovskites: insights from on-the-fly machine-learned force fields. Chemical communications (Cambridge, England) 60 (20) (2024)
Anirban Karmakar, Andreia A C D Santos, Noemi Pagliaricci, João Pires, Mary Batista, Elisabete C B A Alegria, Ana Martin-Calvo, Juan José Gutiérrez Sevillano, Sofía Calero, Maria de Fátima C Guedes da Silva, Riccardo Pettinari, Armando J L Pombeiro
Halogen-Decorated Metal-Organic Frameworks for Efficient and Selective CO 2 Capture, Separation, and Chemical Fixation with Epoxides under Mild Conditions. ACS applied materials & interfaces (2024)
Rafael María Madero Castro, Azahara Luna-Triguero, Andrzej Sławek, Jose Manuel Vicent-Luna, Sofía Calero
On the Use of Water and Methanol with Zeolites for Heat Transfer. ACS sustainable chemistry & engineering 11 (11) (2023)
Rafael María Madero Castro, Azahara Luna-Triguero, Andrzej Sławek, Jose Manuel Vicent-Luna, Sofía Calero
On the Use of Water and Methanol with Zeolites for Heat Transfer. ACS sustainable chemistry & engineering 11 (11) (2023)
Mariana C N Bessa, Azahara Luna-Triguero, Jose Manuel Vicent-Luna, Paulo M O C Carmo, Mihalis N Tsampas, Ana Mafalda Ribeiro, Alírio Egídio Rodrigues, Sofía Calero, Alexandre Filipe Porfírio Ferreira
An Efficient Strategy for Electroreduction Reactor Outlet Fractioning into Valuable Products. Industrial & engineering chemistry research 62 (22) (2023)
José Luis Núñez-Rico, Juanjo Cabezas-Giménez, Vanesa Lillo, Salvador R G Balestra, Jose Ramon Galan-Mascaros, Sofía Calero, Anton Vidal-Ferran
TAMOF-1 as a Versatile and Predictable Chiral Stationary Phase for the Resolution of Racemic Mixtures. ACS applied materials & interfaces (2023)
Gabriela Jajko, Juan José Gutiérrez Sevillano, Sofía Calero, Wacław Makowski, Paweł Kozyra
The Boost of Toluene Capture in UiO-66 Triggered by Structural Defects or Air Humidity. The journal of physical chemistry letters (2023)
Mike Pols, Victor Brouwers, Sofía Calero, Shuxia Tao
How fast do defects migrate in halide perovskites: insights from on-the-fly machine-learned force fields. Chemical communications (Cambridge, England) (2023)
Mike Pols, Tobias Hilpert, Ivo A W Filot, Adri C T van Duin, Sofía Calero, Shuxia Tao
What Happens at Surfaces and Grain Boundaries of Halide Perovskites: Insights from Reactive Molecular Dynamics Simulations of CsPbI 3 . ACS applied materials & interfaces 14 (36) (2022)
Carmen González-Galán, Mabel de Fez-Febré, Stefano Giancola, Jesús González-Cobos, Anton Vidal-Ferran, Jose Ramon Galan-Mascaros, Salvador R G Balestra, Sofía Calero
Separation of Volatile Organic Compounds in TAMOF-1. ACS applied materials & interfaces 14 (27) (2022)
Ignacio Romero-Muñiz, Carlos Romero-Muñiz, Isabel Del Castillo-Velilla, Carlo Marini, Sofía Calero, Felix Zamora, Ana Eva Platero-Prats
Revisiting Vibrational Spectroscopy to Tackle the Chemistry of Zr 6 O 8 Metal-Organic Framework Nodes. ACS applied materials & interfaces (2022)
Gabriela Jajko, Sofía Calero, Paweł Kozyra, Wacław Makowski, Andrzej Sławek, Barbara Gil, Juan José Gutiérrez Sevillano
Defect-induced tuning of polarity-dependent adsorption in hydrophobic-hydrophilic UiO-66. Communications chemistry 5 (1) (2022)
Dominika O Wasik, H Mert Polat, Mahinder Ramdin, Othonas A Moultos, Sofía Calero, Thijs J H Vlugt
Solubility of CO 2 in Aqueous Formic Acid Solutions and the Effect of NaCl Addition: A Molecular Simulation Study. The journal of physical chemistry. C, Nanomaterials and interfaces 126 (45) (2022)
Gabriela Jajko, Sofía Calero, Paweł Kozyra, Wacław Makowski, Andrzej Sławek, Barbara Gil, Juan José Gutiérrez Sevillano
Defect-induced tuning of polarity-dependent adsorption in hydrophobic-hydrophilic UiO-66. Communications chemistry 5 (1) (2022)
H Mert Polat, Hirad S Salehi, Remco Hens, Dominika O Wasik, Ahmadreza Rahbari, Frédérick de Meyer, Céline Houriez, Christophe Coquelet, Sofía Calero, David Dubbeldam, Othonas A Moultos, Thijs J H Vlugt
New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves. Journal of chemical information and modeling 61 (8) (2021)
Máté Erdős, Daan F Geerdink, Ana Martin-Calvo, Evgeny A Pidko, Leo J P van den Broeke, Sofía Calero, Thijs J H Vlugt, Othonas A Moultos
In Silico Screening of Zeolites for High-Pressure Hydrogen Drying. ACS applied materials & interfaces 13 (7) (2021)
Carlos Romero-Muñiz, José María Gavira-Vallejo, Patrick Jacques Merkling, Sofía Calero
Impact of Small Adsorbates in the Vibrational Spectra of Mg- and Zn-MOF-74 Revealed by First-Principles Calculations. ACS applied materials & interfaces 12 (49) (2020)
Anqi Liu, Xuan Peng, Qibing Jin, Surendra Kumar Jain, Jose Manuel Vicent-Luna, Sofía Calero, Dongfeng Zhao
Adsorption and Diffusion of Benzene in Mg-MOF-74 with Open Metal Sites. ACS applied materials & interfaces 11 (4) (2019)
Julio Perez-Carbajo, José B Parra, Conchi O Ania, Patrick Jacques Merkling, Sofía Calero
Molecular Sieves for the Separation of Hydrogen Isotopes. ACS applied materials & interfaces 11 (20) (2019)
Azahara Luna-Triguero, Jose Manuel Vicent-Luna, Rafael María Madero Castro, Paula Gómez-Álvarez, Sofía Calero
Acetylene Storage and Separation Using Metal-Organic Frameworks with Open Metal Sites. ACS applied materials & interfaces 11 (34) (2019)
A Luna-Triguero, Paula Gómez-Álvarez, Sofía Calero
Adsorptive process design for the separation of hexane isomers using zeolites. Physical chemistry chemical physics : PCCP 19 (7) (2018)
Azahara Luna-Triguero, Jose Manuel Vicent-Luna, Sofía Calero
Phase Transition Induced by Gas Adsorption in Metal-Organic Frameworks. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (34) (2018)
Jose Manuel Vicent-Luna, Eneko Azaceta, Said Hamad, José Manuel Ortiz-Roldán, Ramon Tena-Zaera, Sofía Calero, Juan Antonio Anta
Molecular Dynamics Analysis of Charge Transport in Ionic-Liquid Electrolytes Containing Added Salt with Mono, Di, and Trivalent Metal Cations. Chemphyschem : a European journal of chemical physics and physical chemistry 19 (13) (2018)
Jose Manuel Vicent-Luna, Juan José Gutiérrez Sevillano, Said Hamad, Juan Antonio Anta, Sofía Calero
Role of Ionic Liquid [EMIM]+[SCN]- in the Adsorption and Diffusion of Gases in Metal-Organic Frameworks. ACS applied materials & interfaces 10 (35) (2018)
Rocio Bueno-Perez, Salvador R G Balestra, Miguel A Camblor, Jung Gi Min, Suk Bong Hong, Patrick Jacques Merkling, Sofía Calero
Influence of Flexibility on the Separation of Chiral Isomers in STW-Type Zeolite. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (16) (2018)
Julio Perez-Carbajo, Ismael Matito-Martos, Salvador R G Balestra, Mihalis N Tsampas, Mauritius C M van de Sanden, José A Delgado, V Ismael Águeda, Patrick Jacques Merkling, Sofía Calero
Zeolites for CO2-CO-O2 Separation to Obtain CO2-Neutral Fuels. ACS applied materials & interfaces 10 (24) (2018)
Azahara Luna-Triguero, Jose Manuel Vicent-Luna, Ali Poursaeidesfahani, Thijs J H Vlugt, R Sánchez-de-Armas, Paula Gómez-Álvarez, Sofía Calero
Improving Olefin Purification Using Metal Organic Frameworks with Open Metal Sites. ACS applied materials & interfaces 10 (19) (2018)
Jung Gi Min, Azahara Luna-Triguero, Youngchul Byun, Salvador R G Balestra, Jose Manuel Vicent-Luna, Sofía Calero, Suk Bong Hong, Miguel A Camblor
Stepped Propane Adsorption in Pure-Silica ITW Zeolite. Langmuir : the ACS journal of surfaces and colloids 34 (16) (2018)
Fernando Cacho-Bailo, Ismael Matito-Martos, Julio Perez-Carbajo, Miren Etxeberria-Benavides, Oğuz Karvan, Víctor Sebastián, Sofía Calero, Carlos Téllez, Joaquín Coronas
On the molecular mechanisms for the H2/CO2 separation performance of zeolite imidazolate framework two-layered membranes. Chemical science 8 (1) (2016)
Rocio Bueno-Perez, Patrick Jacques Merkling, Paula Gómez-Álvarez, Sofía Calero
Cadmium-BINOL Metal-Organic Framework for the Separation of Alcohol Isomers. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (4) (2016)
Jose Manuel Vicent-Luna, José Manuel Ortiz-Roldán, Said Hamad, Ramon Tena-Zaera, Sofía Calero, Juan Antonio Anta
Quantum and Classical Molecular Dynamics of Ionic Liquid Electrolytes for Na/Li-based Batteries: Molecular Origins of the Conductivity Behavior. Chemphyschem : a European journal of chemical physics and physical chemistry 17 (16) (2016)
Jose Manuel Vicent-Luna, David Dubbeldam, Paula Gómez-Álvarez, Sofía Calero
Aqueous Solutions of Ionic Liquids: Microscopic Assembly. Chemphyschem : a European journal of chemical physics and physical chemistry 17 (3) (2015)