相关论文: Visualizing Free Energy Landscapes for Four Hard D…

In this paper we study activity fluctuations in an asymmetric death-branching process in one-dimension. The model, which is a variant of the asymmetric Glauber model, has already been studied in [12]. It is known that in the low-activity…

We use analytical calculations and event-driven molecular dynamics simulations to study a small number of hard sphere particles in a spherical cavity. The cavity is taken also as the thermal bath so that the system thermalizes by collisions…

We propose a new approach, "structure integration", enabling direct evaluation of configurational free energy for large systems. The present approach is based on the statistical information of lattice. Through first-principles-based…

Companies with datacenters are procuring significant amounts of renewable energy to reduce their carbon footprint. There is increasing interest in achieving 24/7 Carbon-Free Energy (CFE) matching in electricity usage, aiming to eliminate…

We investigate fracture and fragmentation of solids due to impact at low energies using a two-dimensional dynamical model of granular solids. Simulating collisions of two solid discs we show that, depending on the initial energy, the…

High-dimensional random landscapes underlie phenomena as diverse as glassy physics and optimization in machine learning, and even their simplest toy models already display extraordinarily rich behavior. This thesis aims to deepen our…

We investigate the relation between the dynamical features of a supercooled liquid and those of its potential energy landscape, focusing on a model liquid with density anomalies. We consider, at fixed temperature, pairs of state points with…

Modeling environmental ecosystems is critical for the sustainability of our planet, but is extremely challenging due to the complex underlying processes driven by interactions amongst a large number of physical variables. As many variables…

The Voronoi model is a popular tool for studying confluent living tissues. It exhibits an anomalous glassy behavior even at very low temperatures or weak active self-propulsion, and at zero temperature the model exhibits a disordered solid…

We model a close-knit community of friends and enemies as a fully connected network with positive and negative signs on its edges. Theories from social psychology suggest that certain sign patterns are more stable than others. This notion…

We derive a formula that expresses the density of states of a system with continuous degrees of freedom as a function of microcanonical averages of squared gradient and Laplacian of the Hamiltonian. This result is then used to propose a…

Aspects of the dynamical glass transition are considered within a mean field spin glass model. At the dynamical transition the the system condenses in a state of lower entropy. The difference, the information entropy or complexity, is…

For a gas confined between surfaces held at different temperatures the velocity distribution shows a significant deviation from the Maxwell distribution when the mean free path of the molecules is comparable to or larger than the channel…

To analyze high-dimensional systems, many fields in science and engineering rely on high-level descriptions, sometimes called "macrostates," "coarse-grainings," or "effective theories". Examples of such descriptions include the…

This article investigates an energy balance model coupled to the primitive equations by a dynamic boundary condition with and without noise on the boundary. It is shown that this system is globally strongly well-posed both in the…

The free energy landscape of mean field marginal glasses is ultrametric. We demonstrate that this feature remains in finite three dimensional systems by finding sets of minima which are nearby in configuration space. By calculating the…

Computing reactive trajectories and free energy (FE) landscapes associated to rare event kinetics is key to understanding the dynamics of complex systems. The analysis of the FE surface on which the underlying dynamics takes place has…

Many enhanced sampling techniques rely on the identification of a number of collective variables that describe all the slow modes of the system. By constructing a bias potential in this reduced space one is then able to sample efficiently…

Ground state structures found in nature are in many cases of high symmetry. But structure prediction methods typically render only a small fraction of high symmetry structures. Especially for large crystalline unit cells there are many low…

Dissipative phenomena manifest in multiple mechanical systems. In this dissertation, different geometric frameworks for modelling non-conservative dynamics are considered. The objective is to generalize several results from conservative…