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Classical molecular dynamics is more and more often coupled to quantum mechanical based techniques as a statistical tool to sample configurations of molecular systems embedded in complex environments. Nonetheless, the classical potentials describing the mo ...
In order to shed light on the influence of riverbed vegetation on river morphodynamics, we perform a linear stability analysis on a minimal model of vegetation dynamics coupled with classical one- and two-dimensional Saint-Venant-Exner equations of morphod ...
We combine classical and ring polymer molecular dynamics simulations with the molecular jump model to provide a molecular description of the nuclear quantum effects (NQEs) on water reorientation and hydrogen-bond dynamics in liquid H2O and D2O. We show tha ...
Experimental tests on the inelastic behavior of RC bridge piers have shown that, due to tension shift effects, the curvature profile above the base section of the structural member differs from the one that would develop according to a force-based or a cla ...
We describe a domain-specific knowledge base aimed at supporting the extraction of bibliographic references in the domain of Classics. In particular, we deal with references to canonical works of the Greek and Latin literature by providing a model that rep ...
In this paper, an improved model of the vertical risers of a transmission line is proposed and validated. The proposed improved model, which can be readily implemented in the frame of a classical transmission line formulation, provides accurate results at ...
We present the theory and implementation of an open-ended framework for electric response properties at the level of Hartree-Fock and Kohn-Sham density functional theory that includes effects from the molecular environment modeled by the polarizable embedd ...
Parallel-in-time integration is an often advocated approach for extracting parallelism in the solution of PDEs beyond what is possible using spacial domain decomposition tech- niques. Due to the comparatively low parallel efficiency of parallel-in-time int ...
A Hausdorff topological semiring is called simple if every non-zero continuous homomorphism into another Hausdorff topological semiring is injective. Classical work by Anzai and Kaplansky implies that any simple compact ring is finite. We generalize this r ...
We present a new formulation of a family of proximity operators that generalize the projector step for phase retrieval. These proximity operators for noisy intensity measurements can replace the classical "noise-free" projection in any projection-based alg ...