Related papers: The constant-pressure molecular dynamics for finit…
Dynamical systems see widespread use in natural sciences like physics, biology, chemistry, as well as engineering disciplines such as circuit analysis, computational fluid dynamics, and control. For simple systems, the differential…
Rich out of equilibrium collective dynamics of strongly interacting large assemblies emerge in many areas of science. Some intriguing and not fully understood examples are the glassy arrest in atomic, molecular or colloidal systems,…
Modeling and simulating the protein folding process overall remains a grand challenge in computational biology. We systematically investigate end-to-end quantum algorithms for simulating various protein dynamics with effects, such as…
As one increases the concentration of a colloidal suspension, the system exhibits a dramatic increase in viscosity. Structurally, the system resembles a liquid, yet motions within the suspension are slow enough that it can be considered…
A conservative finite-volume framework, based on a collocated variable arrangement, for the simulation of flows at all speeds, applicable to incompressible, ideal-gas and real-gas fluids is proposed in conjunction with a fully-coupled…
In this paper we propose a model predictive control scheme for constrained fractional-order discrete-time systems. We prove that all constraints are satisfied at all time instants and we prescribe conditions for the origin to be an…
In this work, a class of continuous-time autonomous dynamical systems describing many important phenomena and processes arising in real-world applications is considered. We apply the nonstandard finite difference (NSFD) methodology proposed…
This review examined the current advancements in data-driven methods for analyzing flow and transport in porous media, which has various applications in energy, chemical engineering, environmental science, and beyond. Although there has…
The fluid-mechanics community is currently divided in assessing the boundaries of applicability of the macroscopic approach to fluid mechanical problems. Can the dynamics of nano-droplets be described by the same macroscopic equations as…
The theory of slow manifolds is an important tool in the study of deterministic dynamical systems, giving a practical method by which to reduce the number of relevant degrees of freedom in a model, thereby often resulting in a considerable…
We describe a method to model nonlinear dynamical systems using periodic solutions of delay-differential equations. We show that any finite-time trajectory of a nonlinear dynamical system can be loaded approximately into the initial…
This paper presents a new control, namely additive-state-decomposition dynamic inversion stabilized control, that is used to stabilize a class of multi-input multi-output (MIMO) systems subject to nonparametric time-varying uncertainties…
In molecular dynamics simulations, nanochannel flows are usually driven by a constant force, that aims to represent a pressure difference between inlet and outlet, and periodic boundary conditions are applied in the streamwise direction…
In this chapter, we present some recent progresses on the numerics for stochastic distributed parameter control systems, based on the \emph{finite transposition method} introduced in our previous works. We first explain how to reduce the…
Many aspects of the study of protein folding and dynamics have been affected by the recent advances in machine learning. Methods for the prediction of protein structures from their sequences are now heavily based on machine learning tools.…
Quantum nanosystems are exremely diverse and often very complicated. That is why new methods of a simple description of such systems ensuring the retention of essential part of information at small numbers of parameters are needed. We…
General methods of quantitative and qualitative continuity analysis of characteristics of composite quantum systems are described. Several modifications of the Alicki-Fannes-Winter method are considered, which make it applicable to a wide…
In recent years, constant applied potential molecular dynamics has allowed to study the structure and dynamics of the electrochemical double-layer of a large variety of nanoscale capacitors. Nevertheless it remained impossible to simulate…
We propose a method to continually monitor the energy of a quantum system. We show that by having some previous knowledge of the system's dynamics, but not all of it, one can use the measured energy to determine many other quantities, such…
We propose a novel dynamical method for beating decoherence and dissipation in open quantum systems. We demonstrate the possibility of filtering out the effects of unwanted (not necessarily known) system-environment interactions and show…