Related papers: Probing Multi-Scale Energy Landscapes Using the St…
The cosmological constant and electroweak hierarchy problem have been a great inspiration for research. Nevertheless, the resolution of these two naturalness problems remains mysterious from the perspective of a low-energy effective field…
Rare events are ubiquitous in many different fields, yet they are notoriously difficult to simulate because few, if any, events are observed in a conventiona l simulation run. Over the past several decades, specialised simulation methods…
Numerical simulations of a thin layer of turbulent flow in stably stratified conditions within the Boussinesq approximation have been performed. The statistics of energy transfer among scales have been investigated for different values of…
Estimating free energy differences, an important problem in computational drug discovery and in a wide range of other application areas, commonly involves a computationally intensive process of sampling a family of high-dimensional…
Popular methods for identifying transition paths between energy minima, such as the nudged elastic band and string methods, typically do not incorporate potential energy curvature information, leading to slow relaxation to the minimum…
The quasipotential is a natural generalization of the concept of energy functions to non-equilibrium systems. In the analysis of rare events in stochastic dynamics, it plays a central role in characterizing the statistics of transition…
An analysis of the network defined by the potential energy minima of multi-atomic systems and their connectivity via reaction pathways that go through transition states allows to understand important characteristics like thermodynamic,…
A new variational method for studying the equilibrium states of an interacting particles system has been proposed. The statistical description of the system is realized by means of a density matrix. This method is used for description of…
The suggestion that there exist causally disconnected universes or sub-universes to explain the values of physical parameters such as the cosmological constant is discussed. A statistical model of the string landscape/topography is…
A shape sensitive, variational approach for the matching of surfaces considered as thin elastic shells is investigated. The elasticity functional to be minimized takes into account two different types of nonlinear energies: a membrane…
This article reviews the concepts and methods of variational path sampling. These methods allow computational studies of rare events in systems driven arbitrarily far from equilibrium. Based upon a statistical mechanics of trajectory space…
The rare-event sampling problem has long been the central limiting factor in molecular dynamics (MD), especially in biomolecular simulation. Recently, diffusion models such as BioEmu have emerged as powerful equilibrium samplers that…
A consistent treatment of the coupling of surface energy and elasticity within the multi-phase- field framework is presented. The model accurately reproduces stress distribution in a number of analytically tractable, yet non-trivial, cases…
We present a bipartite network model that captures intermediate stages of optimization by blending the Maximum Entropy approach with Optimal Transport. In this framework, the network's constraints define the total mass each node can supply…
I give an overview of rare event simulation techniques to generate dynamical pathways across high free energy barriers. The methods on which I will concentrate are the reactive flux approach, transition path sampling, (replica-exchange)…
Metastable transitions in Langevin dynamics can exhibit rich behaviors that are markedly different from its overdamped limit. In addition to local alterations of the transition path geometry, more fundamental global changes may exist. For…
We present a formalism of the transition matrix Monte Carlo method. A stochastic matrix in the space of energy can be estimated from Monte Carlo simulation. This matrix is used to compute the density of states, as well as to construct…
As climate change intensifies, the shift to cleaner energy sources becomes increasingly urgent. With wind energy production set to accelerate, reliable wind probabilistic forecasts are essential to ensure its efficient use. However, since…
The theory of the depinning transition of elastic manifolds in random media provides a framework for the statistical dynamics of dislocation systems at yield. We consider the case of a single flexible dislocation gliding through a random…
Spatial patterns are widely observed in numerous nonequilibrium natural systems, often undergoing complex transitions and bifurcations, thereby exhibiting significant importance in many physical and biological systems such as embryonic…