422 citations · 606 across the 7 of their papers we have counts for
8 papers
Notes on Quantum Computing for Thermal Science
Pietro Asinari, Nada Alghamdi, Paolo De Angelis +6
This document explores the potential of quantum computing in Thermal Science. Conceived as a living document, it will be continuously updated with experimental findings and insight…
Pore-level Quantitative Structure-Activity Relationship (QSAR) for Water Permeation Rate in Aquaporins
Juan José Galano-Frutos, Luca Bergamasco, Paolo Vigo +5
Aquaporins (AQPs) and aquaglyceroporins (AQGPs) play a crucial role in regulating water transport and solute selectivity across biological membranes. Besides their biological relev…
Ultrafast nano generation of acoustic waves in water via a single carbon nanotube
Michele Diego, Marco Gandolfi, Alessandro Casto +9
Generation of ultra high frequency acoustic waves in water is key to nano resolution sensing, acoustic imaging and theranostics. In this context water immersed carbon nanotubes (CN…
Enhancing ReaxFF for Molecular Dynamics Simulations of Lithium-Ion Batteries: An interactive reparameterization protocol
Paolo De Angelis, Roberta Cappabianca, Matteo Fasano +2
Lithium-ion batteries (LIBs) are crucial for the green economy, powering portable electronics, electric vehicles, and renewable energy systems. The solid-electrolyte interphase (SE…
Mesoscopic modeling and experimental validation of thermal and mechanical properties of polypropylene nanocomposites reinforced by graphene-based fillers
Atta Muhammad, Rajat Srivastava, Nikos Koutroumanis +7
The development of nanocomposites relies on structure-property relations, which necessitate multiscale modeling approaches. This study presents a modelling framework that exploits…
The impact of physicochemical features of carbon electrodes on the capacitive performance of supercapacitors: A machine learning approach
Sachit Mishra, Rajat Srivastava, Atta Muhammad +4
Hybrid electric vehicles and portable electronic systems use supercapacitors for energy storage owing to their fast charging discharging rates, long life cycle, and low maintenance…
Minimal set of crystallographic descriptors for sorption properties in hypothetical Metal Organic Frameworks: Role in sequential learning optimization
Giovanni Trezza, Luca Bergamasco, Matteo Fasano +1
Several studies have been recently reported in the literature on sorption properties of MOFs with a number of organic sorbates, such as ethanol and methanol. Surprisingly, still fe…
Passive high-yield seawater desalination at below one sun by modular and low-cost distillation
Eliodoro Chiavazzo, Matteo Morciano, Francesca Viglino +2
Although seawater is abundant, desalination is energy-intensive and expensive. Using the sun as an energy source is attractive for desalinating seawater; however, the performance o…