Publications by authors named "Simone Meloni"

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Mapping signal transduction in bistable jumping spider rhodopsin 1.
Flavio Costa, Emanuele Telari, Daniel Moreno-Rodríguez, Simone Meloni, Jógvan Magnus Haugaard Olsen

Biophys J· November 2025

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Porous host hydrophobicity affects hydration-dehydration cyclability of thermochemical energy storage composites.
Eder Amayuelas, Jie Chen, Tongtong Zhang, Simone Meloni, Yulong Ding

J Colloid Interface Sci· September 2025

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Water intrusion in hydrophobic MOFs with complex topology: A glimpse of the intrusion mechanism of Cu2(tebpz).
Sebastiano Merchiori, Daria Ballardini, Andrea Le Donne, Ribhu Bhatia, Nicola Verziaggi, Simone Meloni

J Chem Phys· February 2025

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Crystallite Size Effects on the Heat of Water Intrusion/Extrusion into/from Metal-Organic Frameworks.
Liam J W Johnson, Alexander R Lowe, Andrea Le Donne, Emre Arkan, Sebastiano Merchiori, Simone Meloni

J Phys Chem Lett· February 2025

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Counterintuitive Trend of Intrusion Pressure with Temperature in the Hydrophobic Cu(tebpz) MOF.
Sebastiano Merchiori, Andrea Le Donne, Ribhu Bhatia, Marta Alvelli, Jiang-Jing Yu, Simone Meloni

Small· October 2024

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Controlling nanocluster growth through nanoconfinement: the effect of the number and nature of metal-organic framework functionalities.
James King, Zhipeng Lin, Federica Zanca, Hui Luo, Linda Zhang, Simone Meloni

Phys Chem Chem Phys· October 2024

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MiMiC: A high-performance framework for multiscale molecular dynamics simulations.
Andrej Antalík, Andrea Levy, Sonata Kvedaravičiūtė, Sophia K Johnson, David Carrasco-Busturia, Simone Meloni

J Chem Phys· July 2024

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Partial Water Intrusion and Extrusion in Hydrophobic Nanopores for Thermomechanical Energy Dissipation.
Gonçalo Paulo, Luis Bartolomé, Oleksandr Bondarchuk, Simone Meloni, Yaroslav Grosu

J Phys Chem C Nanomater Interfaces· July 2024

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Multiscale biomolecular simulations in the exascale era.
David Carrasco-Busturia, Emiliano Ippoliti, Simone Meloni, Ursula Rothlisberger, Jógvan Magnus Haugaard Olsen

Curr Opin Struct Biol· June 2024

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Bubbles enable volumetric negative compressibility in metastable elastocapillary systems.
Davide Caprini, Francesco Battista, Paweł Zajdel, Giovanni Di Muccio, Carlo Guardiani, Simone Meloni

Nat Commun· June 2024

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Mild-Temperature Supercritical Water Confined in Hydrophobic Metal-Organic Frameworks.
Sebastiano Merchiori, Andrea Le Donne, Josh D Littlefair, Alexander Rowland Lowe, Jiang-Jing Yu, Simone Meloni

J Am Chem Soc· May 2024

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Tuning Wetting-Dewetting Thermomechanical Energy for Hydrophobic Nanopores via Preferential Intrusion.
Luis Bartolomé, Argyrios Anagnostopoulos, Alexander R Lowe, Piotr Ślęczkowski, Eder Amayuelas, Simone Meloni

J Phys Chem Lett· February 2024

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Exploring the Heat of Water Intrusion into a Metal-Organic Framework by Experiment and Simulation.
Alexander R Lowe, Piotr Ślęczkowski, Emre Arkan, Andrea Le Donne, Luis Bartolomé, Simone Meloni

ACS Appl Mater Interfaces· January 2024

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Effect of Crystallite Size on the Flexibility and Negative Compressibility of Hydrophobic Metal-Organic Frameworks.
Liam J W Johnson, Diego Mirani, Andrea Le Donne, Luis Bartolomé, Eder Amayuelas, Simone Meloni

Nano Lett· December 2023

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Hydrophobicity of molecular-scale textured surfaces: The case of zeolitic imidazolate frameworks, an atomistic perspective.
Andrea Le Donne, Josh D Littlefair, Marco Tortora, Sebastiano Merchiori, Luis Bartolomé, Simone Meloni

J Chem Phys· November 2023

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GNN for Deep Full Event Interpretation and Hierarchical Reconstruction of Heavy-Hadron Decays in Proton-Proton Collisions.
Julián García Pardiñas, Marta Calvi, Jonas Eschle, Andrea Mauri, Simone Meloni

Comput Softw Big Sci· November 2023

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Optimization of the wetting-drying characteristics of hydrophobic metal organic frameworks via crystallite size: The role of hydrogen bonding between intruded and bulk liquid.
Liam J W Johnson, Gonçalo Paulo, Luis Bartolomé, Eder Amayuelas, Alberto Gubbiotti, Simone Meloni

J Colloid Interface Sci· September 2023

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Mechanism of Water Intrusion into Flexible ZIF-8: Liquid Is Not Vapor.
Eder Amayuelas, Marco Tortora, Luis Bartolomé, Josh David Littlefair, Gonçalo Paulo, Simone Meloni

Nano Lett· June 2023

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Classical nucleation of vapor between hydrophobic plates.
Antonio Tinti, Alberto Giacomello, Simone Meloni, Carlo Massimo Casciola

J Chem Phys· April 2023

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Effect of coarse graining in water models for the study of kinetics and mechanisms of clathrate hydrates nucleation and growth.
Marco Lauricella, Simone Meloni, Giovanni Ciccotti

J Chem Phys· April 2023

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Effect of the Topology on Wetting and Drying of Hydrophobic Porous Materials.
Yuriy G Bushuev, Yaroslav Grosu, Mirosław A Chorążewski, Simone Meloni

ACS Appl Mater Interfaces· July 2022

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Turning Molecular Springs into Nano-Shock Absorbers: The Effect of Macroscopic Morphology and Crystal Size on the Dynamic Hysteresis of Water Intrusion-Extrusion into-from Hydrophobic Nanopores.
Paweł Zajdel, David G Madden, Robin Babu, Marco Tortora, Diego Mirani, Simone Meloni

ACS Appl Mater Interfaces· June 2022

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Double Life of Methanol: Experimental Studies and Nonequilibrium Molecular-Dynamics Simulation of Methanol Effects on Methane-Hydrate Nucleation.
Marco Lauricella, Mohammad Reza Ghaani, Prithwish K Nandi, Simone Meloni, Bjorn Kvamme

J Phys Chem C Nanomater Interfaces· April 2022

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Subnanometer Topological Tuning of the Liquid Intrusion/Extrusion Characteristics of Hydrophobic Micropores.
Yuriy G Bushuev, Yaroslav Grosu, Mirosław A Chora Żewski, Simone Meloni

Nano Lett· March 2022

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Wavefunction-Based Electrostatic-Embedding QM/MM Using CFOUR through MiMiC.
Till Kirsch, Jógvan Magnus Haugaard Olsen, Viacheslav Bolnykh, Simone Meloni, Emiliano Ippoliti

J Chem Theory Comput· January 2022

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