Rocio Semino

26PUBLICATIONS
62CO-AUTHORS
Metals and alloy materialsMetal organic frameworksMultiphysics flows (incl. multiphase and reacting flows)Microelectromechanical systems (MEMS)Chemical and thermal processes in energy and combustion
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Journal

Publications (26)

|Sep 08, 2026
Machine Learning and Molecular Simulations Reveal Mechanisms of ZIFs Polymorph Selection.

|Aug 31, 2026
Systematic Study of Machine Learning Classification Algorithms of Zeolitic Imidazolate Framework Polymorphs.

|Jul 20, 2026
Extending Hamiltonian-Adaptive Resolution Simulation to Interfaces: An Updated LAMMPS Implementation and Application to Porous Solids.

|Jun 08, 2026
Reactive Coarse Grained Force Field for Metal-Organic Frameworks Applied to Modeling ZIF-8 Self-Assembly.

|Jun 05, 2025
Thermodynamic insights into the self-assembly of zeolitic imidazolate frameworks from computer simulations.

Emilio Méndez, Rocio Semino

|Mar 17, 2025
Coarse-Grained Modeling of a Metal-Organic Framework/Polymer Composite and Its Gas Adsorption at the Nanoparticle Level.

Cecilia M S Alvares, Rocio Semino

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Frequent Collaborators

7 joint publications

Guillaume Maurin

3 joint publications

Seth M Cohen

3 joint publications

Dong Fan

3 joint publications

Cecilia M S Alvares