Sofia Calero

Sofia Calero

Eindhoven University of Technology - Eindhoven / Netherlands
Engineering & Technology / Metallurgical & Materials Engineering
AD Scientific Index ID: 4365137
Technische Universiteit Eindhoven
person_outline Sofia Calero's MOST POPULAR ARTICLES
1-) RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materialsD Dubbeldam, S Calero, DE Ellis, RQ SnurrMolecular Simulation 42 (2), 81-101, 201611182016
2-) United atom force field for alkanes in nanoporous materialsD Dubbeldam, S Calero, TJH Vlugt, R Krishna, TLM Maesen, B SmitThe Journal of Physical Chemistry B 108 (33), 12301-12313, 20043862004
3-) Understanding the role of sodium during adsorption: A force field for alkanes in sodium-exchanged faujasitesS Calero, D Dubbeldam, R Krishna, B Smit, TJH Vlugt, JFM Denayer, ...Journal of the American Chemical Society 126 (36), 11377-11386, 20042822004
4-) Transferable force field for carbon dioxide adsorption in zeolitesA Garcia-Sanchez, CO Ania, JB Parra, D Dubbeldam, TJH Vlugt, ...The Journal of Physical Chemistry C 113 (20), 8814-8820, 20092602009
5-) Computing the heat of adsorption using molecular simulations: the effect of strong Coulombic interactionsTJH Vlugt, E García-Pérez, D Dubbeldam, S Ban, S CaleroJournal of chemical theory and computation 4 (7), 1107-1118, 20082462008