Sofı́a Calero

Hospital General Universitario de Albacete — Spain

Chemistry · Physical Sciences

60h-index12.5kcitations370works3.92yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Metal-Organic Frameworks: Synthesis and Applications(131), Zeolite Catalysis and Synthesis(122), Phase Equilibria and Thermodynamics(65), Carbon Dioxide Capture Technologies(50), Mesoporous Materials and Catalysis(38)

Publications370 total

Hydrogen-bonding ability induces structural flexibility in a zeolitic-imidazolate framework (ZIF-71)
Journal of Materials Chemistry A·2025Open Access
Transition metal docking in MOF-303 for enhanced Atmospheric Water Harvesting: A multiscale simulation approach
Microporous and Mesoporous Materials·2025· 1 citedOpen Access
Impact of metal cation on chiral properties of 2D halide perovskites
Physical Review Materials·2025Open Access
Sinus rhythm maintenance in persistent atrial fibrillation: 12-lead ECG multiscale entropy characterization
Medical & Biological Engineering & Computing·2025Open Access
Review of group contribution methods for prediction of thermodynamic properties of long-chain hydrocarbons
Molecular Physics·2025· 1 cited
Enhancing Direct Air Capture through Potassium Carbonate Doping of Activated Carbons
arXiv (Cornell University)·2025Open Access
Matching pure and mixture isotherms using an invertible autoencoder
Molecular Physics·2025Open Access
Second-order group contribution method for <i>T</i> <sub>c</sub> , <i>P</i> <sub>c</sub> , <i>ω</i> , ΔGf0, ΔHf0 and liquid densities of linear and branched alkanes
Molecular Physics·2025Open Access
Machine Learning-Based Predictions of Henry Coefficients for Long-Chain Alkanes in One-Dimensional Zeolites: Application to Hydroisomerization
The Journal of Physical Chemistry C·2025Open Access
The RASPA2024 workshop in Delft, The Netherlands
Molecular Physics·2025· 1 cited
Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction
arXiv (Cornell University)·2025Open Access
Implementation of energy and force grids in molecular simulations of porous materials
Molecular Physics·2025Open Access
Impact of Metal Cation on Chiral Properties of 2D Halide Perovskites
arXiv (Cornell University)·2025Open Access
Chiral Phonons in 2D Halide Perovskites
Nano Letters·2025· 4 citedOpen Access
Evaluating Simulation Accuracy for the Prediction of MFI-Zeolite Phase Transitions
The Journal of Physical Chemistry C·2025Open Access
Author response for "Symmetry-Informed Graph Neural Networks for Carbon Dioxide Isotherm and Adsorption Prediction in Aluminum-Substituted Zeolites"
2025
NaCl Dissociation Explored Through Predictive Power Path Sampling Analysis
Journal of Chemical Theory and Computation·2025· 2 citedOpen Access
Author response for "TAMOF-1 for Capture and Separation of the main Flue Gas Components"
2025
Selective adsorption of CO2 in TAMOF-1 for the separation of CO2/CH4 gas mixtures
Nature Communications·2025· 30 citedOpen Access
Symmetry-Informed Graph Neural Networks for Carbon Dioxide Isotherm and Adsorption Prediction in Aluminum-Substituted Zeolites
arXiv (Cornell University)·2025Open Access
page 1 of 19Next →

Frequent Co-authors

David Dubbeldam(19), Thijs J. H. Vlugt(16), Berend Smit(9), Rajamani Krishna(8), Elena García‐Pérez(8), Said Hamad(7), Juan José Gutiérrez‐Sevillano(7), Theo L. M. Maesen(6), A. Rabdel Ruiz‐Salvador(6), Juan Manuel Castillo(5), José Manuel Vicent‐Luna(5), Joeri Denayer(4), Conchi O. Ania(4), J.B. Parra(4), Salvador R. G. Balestra(4), Ana Martín-Calvo(4), I. Matito-Martos(4), Almudena García-Sánchez(3), Jorge A. R. Navarro(3), E. Beerdsen(3)