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Data-driven approaches have been applied to reduce the cost of accurate computational studies on materials, by using only a small number of expensive reference electronic structure calculations for a representative subset of the materials space, and using ...
The accurate representation of the structural and dynamical properties of water is essential for simulating the unique behavior of this ubiquitous solvent. Here we assess the current status of describing liquid water using ab initio molecular dynamics, wit ...
We study the glass transition by exploring a broad class of kinetic rules that can significantly modify the normal dynamics of supercooled liquids while maintaining thermal equilibrium. Beyond the usual dynamics of liquids, this class includes dynamics in ...
This paper deals with the initial value problem for a semilinear wave equation on a bounded domain and solutions are required to vanish on the boundary of this domain. The essential feature of the situation considered here is that the ellipticity of the sp ...
The log law of the wall, joining the inner, near-wall mean velocity profile (MVP) in wall-bounded turbulent flows to the outer region, has been a permanent fixture of turbulence research for over hundred years, but there is still no general agreement on th ...
. We study very weak solutions to scalar Euler-Lagrange equations associated with quadratic convex functionals. We investigate whether W1,1 solutions are necessarily W 1,2 Nash and Schauder applicable. We answer this question positively for a suitable clas ...
Parametric oscillators are examples of externally driven systems that can exhibit two stable states with opposite phase depending on the initial conditions. In this work, we propose to study what happens when the external forcing is perturbed by a continuo ...
Photoplethysmography (PPG) is a widely emerging method to assess vascular health in humans. The origins of the signal of reflective PPG on peripheral arteries have not been thoroughly investigated. We aimed to identify and quantify the optical and biomecha ...
Through the use of the piecewise-linearity condition of the total energy, we correct the self-interaction for the study of polarons by constructing nonempirical functionals at the semilocal level of theory. We consider two functionals, the gamma DFT and mu ...
The present invention relates to a polyaromatic polymer that comprises multifunctional aromatic moieties MA, cationic groups CG and bifunctional aromatic moieties BA, wherein one or more CG and one or more BA form a linear unit L, and MA is connected to 3 ...