Related papers: Collective mode mining from molecular dynamics sim…
Several sub-diffusive stochastic processes in nature, e.g., motion of tagged monomer in polymers, height fluctuation of interfaces and particle dynamics in single-file diffusion etc. can be described rigorously or approximately by the…
Computational devices combining two or more different parts, one controlling the operation of the other, for example, derive their power from the interaction, in addition to the capabilities of the parts. Non-classical computation has…
In order to understand the dynamical mechanism of the friction phenomena, we heavily rely on the numerical analysis using various methods: molecular dynamics, Langevin equation, lattice Boltzmann method, Monte Carlo, e.t.c.. We propose a…
Complex environments, processes and systems may exhibit several distinct modes of physical behaviour or operation. Thus, for example, in their design, a set of mathematical models may be needed, each model having its own domain of…
Universality of quantum mechanics -- its applicability to physical systems of quite different nature and scales -- indicates that quantum behavior can be a manifestation of general mathematical properties of systems containing…
Novel technological applications often involve fluid flows in the Knudsen regime in which the mean free path is comparable to the system size. We use molecular dynamics simulations to study the transition between the dilute gas and the…
Numerical simulations of clusters of galaxies provide a unique way to follow the dynamics of these systems. The models reveal many characteristics of the merging process of subclusters: shock structure and strength, temperature distribution…
A deep understanding of the dynamics of the human nervous system requires the simultaneous study of multiple spatiotemporal scales from the level of neurotransmitters up to the level of human cultures. This is likely impossible for…
With the aim of understanding the emergence of collective motion from local interactions of organisms in a "noisy" environment, we study biologically inspired, inherently non-equilibrium models consisting of self-propelled particles. In…
In systems biology, it is becoming increasingly common to measure biochemical entities at different levels of the same biological system. Hence, data fusion problems are abundant in the life sciences. With the availability of a multitude of…
Like mean, quantile and variance, mode is also an important measure of central tendency and data summary. Many practical questions often focus on "Which element (gene or file or signal) occurs most often or is the most typical among all…
We introduce a hydrodynamic framework for describing monitored classical stochastic processes. We study the conditional ensembles for these monitored processes -- i.e., we compute spacetime correlation functions conditioned on a fixed,…
We propose a method of classifying the operation of a system into finitely many modes. Each mode has its own objectives for the system's behaviour and its own mathematical models and algorithms designed to accomplish its objectives. A…
We use local diffusion maps to assess the quality of two types of collective variables (CVs) for a recently published hydrogen combustion benchmark dataset~\cite{guan2022benchmark} that contains ab initio molecular dynamics trajectories and…
In many applications involving multi-media data, the definition of similarity between items is integral to several key tasks, e.g., nearest-neighbor retrieval, classification, and recommendation. Data in such regimes typically exhibits…
In collider experiments, an event is characterized by two distinct yet mutually complementary features: the `global features' and the `local features'. Kinematic information such as the event topology of a hard process, masses, and spins of…
Efficient simulations of quantum evolutions of spin-1/2 systems are relevant for ensemble quantum computation as well as in typical NMR experiments. We propose an efficient method to calculate the dynamics of an observable provided that the…
Finding the consequences of symmetry for open system quantum dynamics is a problem with broad applications, including describing thermal relaxation, deriving quantum limits on the performance of amplifiers, and exploring quantum metrology…
An important aspect of astrophysical MHD turbulence research is developing diagnostics to connect simulations with the observable universe. Turbulent systems are by definition structurally complex in all fluid variables (density, velocity,…
Simultaneous measurement of several noncommuting observables is modeled by using semigroups of completely positive maps on an algebra with a non-trivial center. The resulting piecewise-deterministic dynamics leads to chaos and to nonlinear…