Rocio Semino

Affiliations:

PHENIX Laboratory

Area:

structure of porous materials, structure and dynamics of electrolytes in solution, structure and dynamics of liquids, computer simulation, molecular dynamics, enhanced sampling, crystal growth, structure at solid-solid and solid-liquid interfaces, proton

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"Rocio Semino"

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Parents

Daniel Laria	grad student	2010-2014
Michele Ceriotti	post-doc	2017-2018

Children

Cecilia Alvares	grad student	2021-2024	University of Montpellier
Salvador Rodríguez-Gómez Balestra	post-doc		(Physics Tree)

Collaborators

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Publications

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Ozcan A, Fan D, Datta SJ, et al. (2024) Tuning MOF/polymer interfacial pore geometry in mixed matrix membrane for upgrading CO separation performance. Science Advances. 10: eadk5846
Asgari M, Semino R, Schouwink P, et al. (2024) An Neutron Diffraction and DFT Study of Hydrogen Adsorption in a Sodalite-Type Metal-Organic Framework, Cu-BTTri. European Journal of Inorganic Chemistry. 2019
Alvares CMS, Maurin G, Semino R. (2024) Erratum: "Coarse-grained modeling of zeolitic imidazolate framework-8 using MARTINI force fields" [J. Chem. Phys. 158, 194107 (2023)]. The Journal of Chemical Physics. 160
Wang Z, Ozcan A, Craig GA, et al. (2023) Pore-Networked Gels: Permanently Porous Ionic Liquid Gels with Linked Metal-Organic Polyhedra Networks. Journal of the American Chemical Society. 145: 14456-14465
Alvares CMS, Maurin G, Semino R. (2023) Coarse-grained modeling of zeolitic imidazolate framework-8 using MARTINI force fields. The Journal of Chemical Physics. 158
Balestra SRG, Martínez-Haya B, Cruz-Hernández N, et al. (2023) Nucleation of zeolitic imidazolate frameworks: from molecules to nanoparticles. Nanoscale
Helfrecht BA, Pireddu G, Semino R, et al. (2022) Ranking the synthesizability of hypothetical zeolites with the sorting hat. Digital Discovery. 1: 779-789
Datta SJ, Mayoral A, Murthy Srivatsa Bettahalli N, et al. (2022) Rational design of mixed-matrix metal-organic framework membranes for molecular separations. Science (New York, N.Y.). 376: 1080-1087
Fan D, Ozcan A, Ramsahye NA, et al. (2022) Putting Forward NUS-8-COH/PIM-1 as a Mixed Matrix Membrane for CO Capture. Acs Applied Materials & Interfaces. 14: 16820-16829
Carja ID, Tavares SR, Shekhah O, et al. (2021) Insights into the Enhancement of MOF/Polymer Adhesion in Mixed-Matrix Membranes Polymer Functionalization. Acs Applied Materials & Interfaces