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Sofı́a Calero

Eindhoven University of Technology

60H-index
372Paper Count
1.3WCitation Count
Published Papers 178
Publication Date
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Impact of flue-gas impurities and pelletization in TAMOF-1
errChemical Engineering Journal
IF13.2
err2026-07-27
err0
errOAAI
errS. Gooijer; S. Capelo-Avilés; E. Acuna-Yeomans; S. Giancola; D. Dubbeldam; J.R. Galán-Mascaros; J.M. Vicent-Luna; S. Calero
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From Ideal Models to Structural Ensembles: Predictive Realism for Molecular Simulation of Porous Materials
errJournal of Chemical Theory and Computation
IF5.5
err2026-05-06
err0
PREAI
errSofia Calero
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errSave
Predicting Absorption and Diffusion of Plasma-Generated O(3P), O(1D), and Other RONS in Aqueous Environments Using Molecular Simulations
errJournal of Physical Chemistry B
IF2.9
err2026-04-01
err0
PREAI
errSaji, Tijin H. G.; Vlugt, Thijs J. H.; Calero, Sofia; Bagheri, Behnaz
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Hydrogen-bonding ability induces structural flexibility in a zeolitic-imidazolate framework (ZIF-71)
errJ. Mater. Chem. A
IF0
err2025-12-24
err0
errOAAI
errJ. Farrando-Pérez; A. Missyul; J. J. Gutiérrez-Sevillano; S. Calero; C. Carrillo-Carrión; A. Martin-Calvo; J. Silvestre-Albero
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Coupling Solvation Thermodynamics and Chemical Speciation: A Simulation-Based Approach to NO x Uptake in Aqueous Environments
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-12-01
err0
PREAI
errSaji, Tijin H. G.; Vlugt, Thijs J. H.; Calero, Sofia; Bagheri, Behnaz
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errSave
Transition Metal Docking in MOF-303 for Enhanced Atmospheric Water Harvesting: A Multiscale Simulation Approach
errMicroporous and Mesoporous Materials
IF4.7
err2025-11-22
err0
errOAAI
errMehrzad Arjmandi; Mohamed Khayet; Sofia Calero
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Symmetry-informed graph neural networks for carbon dioxide isotherm and adsorption prediction in aluminum-substituted zeolites
errJ. Mater. Chem. A
IF9.5
err2025-11-05
err0
errOAAI
errMarko Petković; José-Manuel Vicent Luna; Elīza Beate Dinne; Vlado Menkovski; Sofía Calero
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Sinus rhythm maintenance in persistent atrial fibrillation: 12-lead ECG multiscale entropy characterization
errMedical & Biological Engineering & Computing
IF2.6
err2025-10-10
err0
errOAAI
errEva M. Cirugeda; Eva Plancha; Víctor M. Hidalgo; Sofía Calero; José J. Rieta; Raúl Alcaraz
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Matching pure and mixture isotherms using an invertible autoencoder
errMOLECULAR PHYSICS
IF1.8
err2025-10-01
err0
PREAI
errRan, Y. A.; Calero, S.; Vlugt, T. J. H.; Dubbeldam, D.
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Second-order group contribution method for Tc, Pc, ω, ΔGf0, ΔHf0 and liquid densities of linear and branched alkanes
errMOLECULAR PHYSICS
IF1.8
err2025-10-01
err0
PREAI
errLi, Ziyan; Constantinou, Leonidas; Baur, Richard; Dubbeldam, David; Calero, Sofia; Sharma, Shrinjay; Rigutto, Marcello; Dey, Poulumi; Vlugt, Thijs J. H.
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Review of group contribution methods for prediction of thermodynamic properties of long-chain hydrocarbons
errMOLECULAR PHYSICS
IF1.8
err2025-09-01
err0
PREAI
errLi, Ziyan; Constantinou, Leonidas; Baur, Richard; Dubbeldam, David; Calero, Sofia; Sharma, Shrinjay; Rigutto, Marcello; Dey, Poulumi; Vlugt, Thijs J. H.
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The RASPA2024 workshop in Delft, The Netherlands
errMOLECULAR PHYSICS
IF1.8
err2025-09-01
err1
PREAI
errDubbeldam, David; Calero, Sofia; Snurr, Randall Q.; Vlugt, Thijs J. H.
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Machine Learning-Based Predictions of Henry Coefficients for Long-Chain Alkanes in One-Dimensional Zeolites: Application to Hydroisomerization
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2025-09-01
err0
PREAI
errSharma, Shrinjay; Yang, Ping; Liu, Yachan; Rossi, Kevin; Bai, Peng; Rigutto, Marcello S.; Zuidema, Erik; Agarwal, Umang; Baur, Richard; Calero, Sofia; Dubbeldam, David; Vlugt, Thijs J. H.
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Anion-Rich Solvation Structures in High Entropy Aqueous Electrolytes for Supercapacitors with Superior Potential Windows and Rate Capabilities
errJ. Mater. Chem. A
IF9.5
err2025-08-08
err0
errOAAI
errLaura González-Aguilera; Jose Manuel Vicent-Luna; Paula García-Balaguer; Sofia Calero; Rafael M. Madero-Castro; Encarnación Raymundo-Piñero; Xuejun Lu; Maria Luisa Ferrer; Francisco del Monte; Maria C Gutierrez
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Selective adsorption of CO2 in TAMOF-1 for the separation of CO2/CH4 gas mixtures
errNATURE COMMUNICATIONS
IF15.7
err2025-04-04
err1
errOAAI
errCapelo-Aviles, Santiago; de Fez-Febre, Mabel; Balestra, Salvador R. G.; Cabezas-Gimenez, Juanjo; Tomazini de Oliveira, Raiana; Gallo Stampino, Irene I.; Vidal-Ferran, Anton; Gonzalez-Cobos, Jesus; Lillo, Vanesa; Fabelo, Oscar; Escudero-Adan, Eduardo C.; Falvello, Larry R.; Parra, Jose B.; Rumori, Paolo; Turnes Palomino, Gemma; Palomino Cabello, Carlos; Giancola, Stefano; Calero, Sofia; Galan-Mascaros, Jose Ramon
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TAMOF-1 for capture and separation of the main flue gas components
errJOURNAL OF MATERIALS CHEMISTRY A
IF9.5
err2025-01-01
err0
errOAAI
errGooijer, S.; Capelo-Aviles, S.; Sharma, S.; Giancola, S.; Galan-Mascaros, J. R.; Vlugt, T. J. H.; Dubbeldam, D.; Vicent-Luna, J. M.; Calero, S.
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Hydrogen recovery from steam methane reforming using the ITQ-12 zeolite
errSEPARATION AND PURIFICATION TECHNOLOGY
IF9
err2024-12-01
err1
errOAAI
errvan Heijst, Jeroen; Martin-Calvo, Ana; Calero, Sofia
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Predictors of Clinical Success of Cardioneuroablation in Patients With Syncope Results of a Multicenter Study
errJACC-CLINICAL ELECTROPHYSIOLOGY
IF7.7
err2024-12-01
err0
PREAI
errBarrio-Lopez, Maria Teresa; alvarez-Ortega, Carlos; Minguito-Carazo, Carlos; Franco, Eduardo; Garcia-Granja, Pablo Elpidio; Alcalde-Rodriguez, Oscar; Salvador-Montanes, Oscar; Francisco-Pascual, Jaume; Macias-Ruiz, Rosa; Del Castillo, Alvaro Marco; Giacoman-Hernandez, Sebastian; Exposito-Garcia, Victor; Garcia-Izquierdo, Eusebio; Duran, Juan Manuel; Calvo-Galiano, Naiara; Ibanez-Criado, Jose Luis; Garcia-Cuenca, Enrique; Calero, Sofia; Fernandez-Portales, Javier; Linhart, Markus; Rodriguez-Manero, Moises; Martinez-Alday, Jesus Daniel; Sanchez-Quintana, Damian; Almendral-Garrote, Jesus; Moya-Mitjans, Angel
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Understanding the role of open metal sites in MOFs for the efficient separation of benzene/cyclohexane mixtures
errSEPARATION AND PURIFICATION TECHNOLOGY
IF9
err2024-11-01
err5
errOAAI
errGonzalez-Galan, Carmen; Madero-Castro, Rafael M.; Luna-Triguero, Azahara; Vicent-Luna, Jose Manuel; Calero, Sofia
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Graph Neural Networks for Carbon Dioxide Adsorption Prediction in Aluminum-Substituted Zeolites
errACS APPLIED MATERIALS & INTERFACES
IF8.2
err2024-10-02
err0
errOAAI
errPetkovic, Marko; Vicent-Luna, Jose Manuel; Menkovski, Vlado; Calero, Sofia
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Research Directions

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Co-authors
Cooperation Journals
H
Hermenegildo Garcı́a
H-index: 129 · Papers: 1.2K
R
Rajamani Krishna
H-index: 128 · Papers: 888
F
Freek Kapteijn
H-index: 121 · Papers: 841
B
Berend Smit
H-index: 121 · Papers: 794
R
Randall Q. Snurr
H-index: 116 · Papers: 647
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