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Solidification is a phase transformation of utmost importance in material science, for it largely controls materials' microstructure on which a wide range of mechanical properties depends. Almost every human artifact undergoes a transformation that leads t ...
Coupled dynamical systems are omnipresent in everyday life. In general, interactions between
individual elements composing the system are captured by complex networks. The latter
greatly impact the way coupled systems are functioning and evolving in time. ...
Atomistic simulations are a bottom up approach that predict properties
of materials by modelling the quantum mechanical behaviour of all electrons
and nuclei present in a system. These simulations, however, routinely assume
nuclei to be classical particles ...
The Internet of Audio Things (IoAuT) is an emerging research field positioned at the intersection of the Internet of Things, sound and music computing, artificial intelligence, and human-computer interaction. The IoAuT refers to the networks of computing d ...
Donor-acceptor (D-A) copolymers have shown great potential for intramolecular singlet fission (iSF). Nonetheless, very few design principles exist for optimizing these systems for iSF, with very little knowledge about how to engineer them for this purpose. ...
Following our previous work (Chem. Sci. 2021, 12, 4889-4907), we study the structural dynamics of the SARS-CoV-2 Main Protease dimerization interface (apo dimer) by means of microsecond adaptive sampling molecular dynamics simulations (50 mu s) using the A ...
Nonequilibrium phenomena are ubiquitous in nature and in a wide range of systems, including cold atomic gases and solid-state materials. While these phenomena are challenging to describe both theoretically and experimentally, they are essential for the fun ...
Helium nanodroplets are liquid, finite size, nanoscale helium clusters that have been employed since the 1990s as a matrix for high-resolution spectroscopy of molecules. Spectroscopic studies of ionic species inside helium droplets were not however realise ...
In this paper, a dissipative version of the Benjamin–Ono dynamics is shown to faithfully model the collective evolution of swarms of scalar Cauchy stochastic agents obeying a follow-the-leader interaction rule. Due to the Hilbert transform, the swarm dynam ...
Room temperature ionic liquids are salts which are molten at or around room temperature without any added solvent or solution. In bulk they exhibit glass like dependence of conductivity with temperature as well as coupling of structural and transport prope ...
