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Chemistry

D-Index
64
Citations
13567
World Ranking
8105
National Ranking
174

Overview

Sofia Calero is affiliated with Eindhoven University of Technology in the Netherlands. Their research spans a range of topics primarily within engineering, materials science, and chemistry, with significant contributions in several focused subfields and specialized areas.

The main fields of study include:

  • Engineering
  • Materials Science
  • Chemistry

Within these broader fields, Calero has worked extensively on specific subfields such as:

  • Materials Chemistry
  • Inorganic Chemistry
  • Mechanical Engineering
  • Cardiology and Cardiovascular Medicine
  • Biomedical Engineering

Their research topics cover various subjects, notably in material synthesis and catalytic processes, as well as biomedical aspects, reflected in the following main areas of work:

  • Metal-Organic Frameworks: Synthesis and Applications
  • Zeolite Catalysis and Synthesis
  • Carbon Dioxide Capture Technologies
  • Phase Equilibria and Thermodynamics
  • Catalytic Processes in Materials Science
  • Cardiac electrophysiology and arrhythmias
  • Atrial Fibrillation Management and Outcomes

Calero's publication record is distributed across several notable venues, including:

  • arXiv (Cornell University)
  • ACS Applied Materials & Interfaces
  • SSRN Electronic Journal
  • Chemical Engineering Journal
  • Journal of Materials Chemistry A

Frequent coauthors contributing to Calero's work include:

  • Juan José Gutiérrez-Sevillano
  • José Manuel Vicent-Luna
  • Thijs J. H. Vlugt
  • David Dubbeldam
  • Azahara Luna-Triguero

Recent publications illustrate key areas of investigation and are summarized below:

  • Challenges of modeling nanostructured materials for photocatalytic water splitting, 2022, Chemical Society Reviews
  • High-throughput screening of metal - Organic frameworks for CO2 and CH4 separation in the presence of water, 2020, Chemical Engineering Journal
  • Water adsorption in ideal and defective UiO-66 structures, 2021, Microporous and Mesoporous Materials
  • Role of hydrogen bonding in the capture and storage of ammonia in zeolites, 2020, Chemical Engineering Journal
  • EMIMBF4 in ternary liquid mixtures of water, dimethyl sulfoxide and acetonitrile as "tri-solvent-in-salt" electrolytes for high-performance supercapacitors operating at -70 °C, 2021, Energy Storage Materials

Best Publications

  • RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials

    David Dubbeldam;Sofía Calero;Donald E. Ellis;Randall Q. Snurr

  • United Atom Force Field for Alkanes in Nanoporous Materials

    D. Dubbeldam;Sofia Calero;T. J.H. Vlugt;R. Krishna

  • Understanding the role of sodium during adsorption: a force field for alkanes in sodium-exchanged faujasites.

    Sofía Calero;David Dubbeldam;Rajamani Krishna;Berend Smit

  • Transferable Force Field for Carbon Dioxide Adsorption in Zeolites

    Almudena García-Sánchez;Conchi O. Ania;José B. Parra;David Dubbeldam

  • Computing the Heat of Adsorption using Molecular Simulations: The Effect of Strong Coulombic Interactions

    T. J. H. Vlugt;E. García-Pérez;D. Dubbeldam;S. Ban

  • Entropy effects during sorption of alkanes in zeolites

    Rajamani Krishna;Berend Smit;Sofia Calero

  • Understanding Water Adsorption in Cu−BTC Metal−Organic Frameworks

    Juan Manuel Castillo;Thijs J. H. Vlugt;Sofía Calero

  • Force field parametrization through fitting on inflection points in isotherms.

    D. Dubbeldam;Sofia Calero;T. J.H. Vlugt;R. Krishna

  • A computational study of CO2, N2, and CH4 adsorption in zeolites

    E. García-Pérez;J. B. Parra;C. O. Ania;A. García-Sánchez

  • iRASPA: GPU-accelerated visualization software for materials scientists

    David Dubbeldam;Sofía Calero;Thijs J.H. Vlugt

  • Understanding Gas-Induced Structural Deformation of ZIF-8

    Conchi O. Ania;E. García-Pérez;M. Haro;J. J. Gutiérrez-Sevillano

  • Selective sulfur dioxide adsorption on crystal defect sites on an isoreticular metal organic framework series.

    L. Marleny Rodríguez-Albelo;Elena López-Maya;Said Hamad;A. Rabdel Ruiz-Salvador

  • Challenges of modeling nanostructured materials for photocatalytic water splitting.

    Unknown

  • Functionalisation of MOF open metal sites with pendant amines for CO2 capture

    Carmen Montoro;Elena García;Sofía Calero;María A. Pérez-Fernández

  • Investigation of Entropy effects during Sorption of Mixtures of Alkanes in MFI zeolite

    R. Krishna;S. Calero;B. Smit

  • Identification of adsorption sites in Cu-BTC by experimentation and molecular simulation.

    Elena García-Pérez;Jorge Gascón;Víctor Morales-Flórez;Juan Manuel Castillo

  • Molecular simulations for adsorption and separation of natural gas in IRMOF-1 and Cu-BTC metal-organic frameworks.

    Ana Martín-Calvo;Elena García-Pérez;Juan Manuel Castillo;Sofia Calero

  • Porphyrin-based metal-organic frameworks for solar fuel synthesis photocatalysis: band gap tuning via iron substitutions

    Alex Aziz;A. Rabdel Ruiz-Salvador;Norge C. Hernández;Sofia Calero

  • Homochiral Metal–Organic Frameworks for Enantioselective Separations in Liquid Chromatography

    M. Nieves Corella-Ochoa;Jesús B. Tapia;Heather N. Rubin;Vanesa Lillo

  • Simulating the effect of nonframework cations on the adsorption of alkanes in MFI-type zeolites

    Edith Beerdsen;David Dubbeldam;Berend Smit;Thijs J. H. Vlugt

  • Computer-assisted screening of ordered crystalline nanoporous adsorbents for separation of alkane isomers.

    David Dubbeldam;Rajamani Krishna;Sofía Calero;Ahmet Özgür Yazaydın

  • Incommensurate diffusion in confined systems

    D. Dubbeldam;S. Calero;T. L. M. Maesen;B. Smit

Frequent Co-Authors

David Dubbeldam
David Dubbeldam University of Amsterdam
Thijs J. H. Vlugt
Thijs J. H. Vlugt Delft University of Technology
Berend Smit
Berend Smit University of California, Berkeley
Rajamani Krishna
Rajamani Krishna University of Amsterdam
Conchi O. Ania
Conchi O. Ania University of Orléans
Juan A. Anta
Juan A. Anta Pablo de Olavide University
Joeri F. M. Denayer
Joeri F. M. Denayer Vrije Universiteit Brussel
Fernando Rey
Fernando Rey Universitat Politècnica de València
Susana Valencia
Susana Valencia Universitat Politècnica de València

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