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Despite many years of intensive research there still remain many unresolved questions in powder and ceramic technology. A majority of these issues are linked to interfacial phenomena of atomic scale origin, which makes their experimental investigation very ...
This dissertation describes a complete methodological framework for designing, modeling and optimizing a specific class of distributed systems whose dynamics result from the multiple, stochastic interactions of their constitutive components. These componen ...
In this paper an Iterative Learning Control (ILC) algorithm is proposed for a certain class of Linear Parameter Varying (LPV) systems whose dynamics change between iterations. Consistency of the algorithm in the presence of stochastic disturbances is shown ...
Characterizing and predicting the nuclear dynamics of electronically excited molecules is of paramount importance to the understanding of photochemical and photophysical processes in molecules and to the development of new technologies in domains like sola ...
Software engineering always cares to provide solutions for building applications as close as possible to what they should be, according to the requirements and the final users needs. Systems behavior simulation is a very common application to virtually rep ...
The primary damage formation in Mo is investigated using molecular dynamics (MD) simulation with embedded-defect (ED) and embedded-atom method (EAM) interatomic potentials. The former is similar in spirit to the latter but includes an approximate treatment ...
Recent developments in path integral methodology have significantly reduced the computational expense of including quantum mechanical effects in the nuclear motion in ab initio molecular dynamics simulations. However, the implementation of these developmen ...
Starting from the quantum statistical master equation derived in [1] we show how the connection to the semi-classical Boltzmann equation (SCBE) can be established and how irreversibility is related to the problem of separability of quantum mechanics. Our p ...
Scientists in many disciplines have progressively been using simulations to better understand the natural systems they study. Faster hardware, as well as
increasingly precise instruments, allow the construction and simulation of progressively advanced mod ...
The motion of the excess proton is understood as a process involving interconversion between two limiting states, namely, the Eigen and Zundel cations. Nuclear quantum effects (NQE) and the organization of the surrounding solvent play a significant role in ...
