相关论文: Slowest kinetic modes revealed by metabasin renorm…

Time-varying linear state-space models are powerful tools for obtaining mathematically interpretable representations of neural signals. For example, switching and decomposed models describe complex systems using latent variables that evolve…

We use molecular dynamics computer simulations to investigate the local motion of the particles in a supercooled simple liquid. Using the concept of the distance matrix we find that the alpha-relaxation corresponds to a small number of…

A general matrix-based scheme for analyzing the long-time dynamics in kinetically constrained models such as the East model is presented. The treatment developed here is motivated by the expectation that slowly-relaxing spin domains of…

We employ the framework of the Koopman operator and dynamic mode decomposition to devise a computationally cheap and easily implementable method to detect transient dynamics and regime changes in time series. We argue that typically…

Nowadays different experimental techniques, such as single molecule or relaxation experiments, can provide dynamic properties of biomolecular systems, but the amount of detail obtainable with these methods is often limited in terms of time…

In this paper we review a recent proposal to understand the long time limit of glassy dynamics in terms of an appropriate Markov Chain. [1]. The advantages of the resulting construction are many. The first one is that it gives a quasi…

Molecular dynamics simulations are performed to investigate heterogeneous dynamics in amorphous glassy materials under oscillatory shear strain. We consider three-dimensional binary Lennard-Jones mixture well below the glass transition…

Using molecular simulations and theory, we develop an explicit mapping of the contribution of molecular relaxation modes in glassy thermosets to the shear modulus, where the relaxations were tuned by altering the polarity of side groups.…

The Ohta-Kawasaki equation models the mesoscopic phase separation of immiscible polymer chains that form diblock copolymers, with applications in directed self-assembly for lithography. We perform a mathematical analysis of this model under…

We study how the finite-sized n-component model A with periodic boundary conditions relaxes near its bulk critical point from an initial nonequilibrium state with short-range correlations. Particular attention is paid to the universal…

Lane changing dynamics are an important part of traffic microsimulation and are vital for modeling weaving sections and merge bottlenecks. However, there is often much more emphasis placed on car following and gap acceptance models, whereas…

In this paper, we introduce methods from convex optimization to solve the multimarginal transport type problems arise in the context of density functional theory. Convex relaxations are used to provide outer approximation to the set of…

Measuring, characterizing and modelling the slow dynamics of glassy soft matter is a great challenge, with an impact that ranges from industrial applications to fundamental issues in modern statistical physics, such as the glass transition…

Two decades of experimental research indicates that spatial confinement of glass-forming molecular and polymeric liquids results in major changes of their slow dynamics beginning at large confinement distances. A fundamental understanding…

We study the minmax optimization problem introduced in [22] for computing policies for batch mode reinforcement learning in a deterministic setting. First, we show that this problem is NP-hard. In the two-stage case, we provide two…

Snapshot matrices built from solutions to hyperbolic partial differential equations exhibit slow decay in singular values, whereas fast decay is crucial for the success of projection- based model reduction methods. To overcome this problem,…

The output of molecular dynamics simulations is high-dimensional, and the degrees of freedom among the atoms are related in intricate ways. Therefore, a variety of analysis frameworks have been introduced in order to distill complex motions…

We present a study of orientational relaxation dynamics in thin films of a low-molecular-weight glass-former as a function of temperature and film thickness. The relaxation is probed by second-harmonic generation after release of a poling…

The central theme of complex systems research is understanding the emergent macroscopic properties of a system from the interplay of its microscopic constituents. Here, we ask what conditions a complex network of microscopic dynamical units…

Motivated by the work of Cooper & Showman, we revisit the chemical relaxation method, which seeks to enhance the computational efficiency of chemical-kinetics calculations by replacing the chemical network with a handful of independent…