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The interplay of quantum fluctuations with nonlinear dynamics is a central topic in the study of open quantum systems, connected to fundamental issues (such as decoherence and the quantum-classical transition) and practical applications…
We use an "equation-free", coarse-grained computational approach to accelerate molecular dynamics-based computations of demixing (segregation) of dissimilar particles subject to an upward gas flow (gas-fluidized beds). We explore the…
Modelling the dynamics of dense granular media is a long standing challenge and essential to many natural phenomena and technological applications. Here, we trace back puzzling experimental observation of detailed-balanced steady states to…
Recent work in [53, 54] by the authors on periodic center manifolds and normal forms for bifurcations of limit cycles in delay differential equations (DDEs) motivates the derivation of explicit computational formulas for the critical normal…
We propose an approximation of nonlinear renewal equations by means of ordinary differential equations. We consider the integrated state, which is absolutely continuous and satisfies a delay differential equation. By applying the…
Spatio-temporal bifurcations and complex dynamics in globally coupled intrinsically bistable electrochemical systems with an S-shaped current-voltage characteristic under galvanostatic control are studied theoretically on a one-dimensional…
A software package, called DFTBaby, is published, which provides the electronic structure needed for running non-adiabatic molecular dynamics simulations at the level of charge-consistent tight-binding DFT. A long-range correction is…
This paper studies the partially observed stochastic optimal control problem for systems with state dynamics governed by partial differential equations (PDEs) that leads to an extremely large problem. First, an open-loop deterministic…
To obtain explicit understanding of the behavior of dynamical systems, geometrical methods and slow-fast analysis have proved to be highly useful. Such methods are standard for smooth dynamical systems, and increasingly used for continuous,…
We present an ``equation-free'' multiscale approach to the simulation of unsteady diffusion in a random medium. The diffusivity of the medium is modeled as a random field with short correlation length, and the governing equations are cast…
The computer-assisted modeling of re-entrant production lines, and, in particular, simulation scalability, is attracting a lot of attention due to the importance of such lines in semiconductor manufacturing. Re-entrant flows lead to…
The arc-length continuation framework is used for the design of state feedback control laws that enable a microscopic simulator trace its own open-loop coarse bifurcation diagram. The steering of the system along solution branches is…
Probabilistic approaches for handling count-valued time sequences have attracted amounts of research attentions because their ability to infer explainable latent structures and to estimate uncertainties, and thus are especially suitable for…
Data-flow analysis is a general technique used to compute information of interest at different points of a program and is considered to be a cornerstone of static analysis. In this thesis, we consider interprocedural data-flow analysis as…
We propose and illustrate an approach to coarse-graining the dynamics of evolving networks (networks whose connectivity changes dynamically). The approach is based on the equation-free framework: short bursts of detailed network evolution…
Dynamical Systems (DS) are fundamental to the modeling and understanding time evolving phenomena, and have application in physics, biology and control. As determining an analytical description of the dynamics is often difficult, data-driven…
The explicit filtering method for large eddy simulation (LES,) which comprises integration of the governing equations without any added terms for sub-grid-scale modeling, and the application of a low-pass filter to transported fields, is…
As energy efficiency became a critical factor in the embedded systems domain, dynamic voltage and frequency scaling (DVFS) techniques have emerged as means to control the system's power and energy efficiency. Additionally, due to the…
We introduce a versatile class of prototype dynamical systems for the study of complex bifurcation cascades of limit cycles, including bifurcations breaking spontaneously a symmetry of the system, period doubling bifurcations and…
Deep Gaussian processes (DGPs) are increasingly popular as predictive models in machine learning (ML) for their non-stationary flexibility and ability to cope with abrupt regime changes in training data. Here we explore DGPs as surrogates…