Rocío Semino
- Phase diagram of ZIF-4 from computer simulations
2024/01/01 by Emilio García Méndez, Emilio Mendez, Rocio Semino +3 · 1 voice · 5 citations
Chemistry · Materials Science · #Metal-Organic Frameworks: Synthesis and Applications #Organic and Molecular Conductors Research #Magnetism in coordination complexes
- Microscopic mechanism of thermal amorphization of ZIF-4 and melting of ZIF-zni revealed via molecular dynamics and machine learning techniques
2023/11/27 by Emilio García Méndez, Emilio Mendez, Rocío Semino +3 · 1 voice · 4 citations
Materials Science · Chemistry · #Machine Learning in Materials Science #Crystallography and molecular interactions #X-ray Diffraction in Crystallography
- Thermodynamic insights into the self-assembly of zeolitic imidazolate frameworks from computer simulations
2024/11/07 by Emilio Méndez, Emilio García Méndez, Rocío Semino +3 · 1 voice · 4 citations
Chemistry · Materials Science · #Metal-Organic Frameworks: Synthesis and Applications #Zeolite Catalysis and Synthesis #Covalent Organic Framework Applications
- Force matching and iterative Boltzmann inversion coarse grained force fields for ZIF-8
2023/12/08 by Cecilia M. S. Alvares, Rocio Semino, Rocío Semino +2 · 1 voice · 3 citations
Chemistry · Materials Science · Engineering · #Metal-Organic Frameworks: Synthesis and Applications #Block Copolymer Self-Assembly #Nanopore and Nanochannel Transport Studies
- Coarse-Grained Modeling of a Metal–Organic Framework/Polymer Composite and Its Gas Adsorption at the Nanoparticle Level
2024/10/08 by Cecilia M. S. Alvares, Rocío Semino, Rocio Semino +2 · 1 voice · 3 citations
Chemistry · Engineering · #Metal-Organic Frameworks: Synthesis and Applications #Enhanced Oil Recovery Techniques #Membrane Separation and Gas Transport
- Unveiling ZIF-8 Nucleation Mechanisms through Molecular Simulation: Role of Temperature, Solvent, and Reactant Concentration
2025/07/31 by Sahar Andarzi Gargari, Rocio Semino, Gargari, Sahar Andarzi +2 · 1 voice · 3 citations
Chemistry · Materials Science · #Metal-Organic Frameworks: Synthesis and Applications #Thermal and Kinetic Analysis #Crystallization and Solubility Studies