Solubilities of CO2, CH4, C2H6, and SO2 in ionic liquids and Selexol from Monte Carlo simulations. - Mahinder Ramdin; Qu Chen; Sayee Prasaad Balaji; José Manuel Vicent-Luna; Ariana Torres-Knoop; David Dubbeldam; Sofía Calero; Theo W. de Loos; Thijs J. H. Vlugt (J. Comput. Sci., 2016)

Refined Multiscale Entropy Predicts Early Failure in Electrical Cardioversion of Atrial Fibrillation. - Eva M. Cirugeda-Roldán; Sofía Calero; Víctor Manuel Hidalgo; José Enero; José Joaquín Rieta; Raúl Alcaraz 001 (CinC, 2020)

Limb Versus Precordial ECG Leads as Improved Predictors of Electrical Cardioversion Outcome in Persistent Atrial Fibrillation. - Eva M. Cirugeda-Roldán; Sofía Calero; Aurelio Quesada; Víctor Manuel Hidalgo; José Joaquín Rieta; Raúl Alcaraz 001 (CinC, 2020)

Multidimensional Characterization of the Atrial Activity to Predict Electrical Cardioversion Outcome of Persistent Atrial Fibrillation. - Eva M. Cirugeda-Roldán; Sofía Calero; Eva Plancha; José Enero; José Joaquín Rieta; Raúl Alcaraz 001 (CinC, 2020)

Multi-scale Entropy Evaluates the Proarrhythmic Condition of Persistent Atrial Fibrillation Patients Predicting Early Failure of Electrical Cardioversion. - Eva M. Cirugeda-Roldán; Sofía Calero; Víctor Manuel Hidalgo; José Enero; José Joaquín Rieta; Raúl Alcaraz 001 (Entropy, 2020)

New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves. - 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 (J. Chem. Inf. Model., 2021)

Equivariant Networks for Porous Crystalline Materials. - Marko Petkovic; Pablo Romero-Marimon; Vlado Menkovski; Sofía Calero (CoRR, 2023)

Equivariant Parameter Sharing for Porous Crystalline Materials. - Marko Petkovic; Pablo Romero-Marimon; Vlado Menkovski; Sofía Calero (IDA (1), 2024)

Graph Neural Networks for Carbon Dioxide Adsorption Prediction in Aluminium-Exchanged Zeolites. - Marko Petkovic; José Manuel Vicent-Luna; Vlado Menkovski; Sofía Calero (CoRR, 2024)

Symmetry-Informed Graph Neural Networks for Carbon Dioxide Isotherm and Adsorption Prediction in Aluminum-Substituted Zeolites. - Marko Petkovic; José Manuel Vicent-Luna; Eliza Beate Dinne; Vlado Menkovski; Sofía Calero (CoRR, 2025)