Related papers: Phase Space Structures of k-threshold Sequential D…
Subsystem Density-Functional Theory (DFT) is an emerging technique for calculating the electronic structure of complex molecular and condensed phase systems. In this topical review, we focus on some recent advances in this field related to…
The application of geometry to physics has provided us with new insightful information about many physical theories such as classical mechanics, general relativity, and quantum geometry (quantum gravity). The geometry also plays an…
Dynamical matching occurs in a variety of important organic chemical reactions. It is observed to be a result of a potential energy surface (PES) having specific geometric features. In particular, a region of relative flatness where…
Two kinds of configurations involving steps on surfaces are reviewed. The first one results from an initially planar vicinal surface, i.e. slightly deviating from a high-symmetry (001) or (111) orientation. In some cases, these surfaces…
We propose score dynamics (SD), a general framework for learning accelerated evolution operators with large timesteps from molecular-dynamics simulations. SD is centered around scores, or derivatives of the transition log-probability with…
We investigate the possibility of a striped inhomoegenous phase occurring as an electronic system with an order parameter linearly coupled to the elastic degrees of freedom is tuned through the electronic phase transition. We find that in…
Dynamical phase transitions (DPTs), characterized by non-analytic behaviors in time domain, extend the equilibrium phase transitions to far-from-equilibrium situations. It has been predicted that DPTs can be precisely identified by the…
The generalized Langevin equation is widely used to model the influence of a heat bath upon a reactive system. This equation will here be studied from a geometric point of view. A dynamical phase space that represents all possible states of…
We consider a realistic model, i.e., ultracold atoms in a driven optical lattice, to realize phase space crystals [Phys. Rev. Lett. 111, 205303 (2013)]. The corresponding lattice structure in phase space is more complex and contains rich…
The convergence behavior of Stochastic Gradient Descent (SGD) crucially depends on the stepsize configuration. When using a constant stepsize, the SGD iterates form a Markov chain, enjoying fast convergence during the initial transient…
Stochastic Hybrid Systems (SHS) constitute an important class of mathematical models that integrate discrete stochastic events with continuous dynamics. The time evolution of statistical moments is generally not closed for SHS, in the sense…
A (closed) dynamical system is a notion of how things can be, together with a notion of how they may change given how they are. The idea and mathematics of closed dynamical systems has proven incredibly useful in those sciences that can…
Stochastic gradient descent (SGD) is a workhorse algorithm for solving large-scale optimization problems in data science and machine learning. Understanding the convergence of SGD is hence of fundamental importance. In this work we examine…
Many natural systems, such as neurons firing in the brain or basketball teams traversing a court, give rise to time series data with complex, nonlinear dynamics. We can gain insight into these systems by decomposing the data into segments…
Discrete-time stochastic systems are an essential modelling tool for many engineering systems. We consider stochastic control systems that are evolving over continuous spaces. For this class of models, methods for the formal verification…
Experimental results for congested pedestrian traffic are presented. For data analysis we apply a method providing measurements on an individual scale. The resulting velocity-density relation shows a coexistence of moving and stopping…
The theory of phase ordering dynamics -- the growth of order through domain coarsening when a system is quenched from the homogeneous phase into a broken-symmetry phase -- is reviewed, with the emphasis on recent developments. Interest will…
We explore the structure of the space of quasisymmetric configurations identifying them by their magnetic axes, described as 3D closed curves. We demonstrate that this topological perspective divides the space of all configurations into…
This contribution presents a diffuse framework for modeling cracks in heterogeneous media. Interfaces are depicted by static phase-fields. This concept allows the use of non-conforming meshes. Another phase-field is used to describe the…
A sequential dynamical system (SDS) consists of a graph $G$ with vertices $v_1,v_2,\ldots,v_n$, a state set $A$, a collection of "vertex functions" $\{f_{v_i}\}_{i=1}^n$, and a permutation $\pi\in S_n$ that specifies how to compose these…