相关论文: Dimer Metadynamics
A polymer model given in terms of beads, interacting through Hookean springs and hydrodynamic forces, is studied. Brownian dynamics description of this bead-spring polymer model is extended to multiple resolutions. Using this multiscale…
Understanding the behavior of interacting fermions is of fundamental interest in many fields ranging from condensed matter to high energy physics. Developing numerically efficient and accurate simulation methods is an indispensable part of…
We study quantum dynamics in the framework of repeated interactions between a system and a stream of identical probes. We present a coarse-grained master equation that captures the system's dynamics in the natural regime where interactions…
We consider a model of quantum dynamical semigroup on a finite dimensional fermionic space, obtained as the continuous-time limit of a repeated interactions model between a system and several thermal baths, with a dynamic driven by…
One of the most well known relativistic field theory models is the Thirring model (TM). Its realization can demonstrate the famous prediction for the renormalization of mass due to interactions. However, experimental verification of the…
The electromagnetic energy equation is analyzed term by term in a 3D simulation of kinetic reconnection previously reported by \citet{vapirev2013formation}. The evolution presents the usual 2D-like topological structures caused by an…
The direct numerical simulation of particulate systems offers a unique approach to study the dynamics of fluid-solid suspensions by fully resolving the submerged particles and without introducing empirical models. For the lattice Boltzmann…
We obtain the phase diagram of the double-exchange model at low electronic densities in the presence of electron-electron interactions. The single particle problem and its extension to low electronic densities, when a Wigner crystal of…
We recently introduced a novel replica-exchange scheme in which an individual replica can sample from states encountered by other replicas at any previous time by way of a global configuration database, enabling the fast propagation of…
Semi-classical methods of statistical mechanics can incorporate essential quantum effects by using effective quantum potentials. An ideal Fermi gas interacting with an impurity is represented by a classical fluid with effective…
The ability to predict accurate thermodynamic and kinetic properties in biomolecular systems is of both scientific and practical utility. While both remain very difficult, predictions of kinetics are particularly difficult because rates, in…
Thermodynamics constrains the flow of matter in a reaction network to occur through routes along which the Gibbs energy decreases, implying that viable steady-state flux patterns should be void of closed reaction cycles. Identifying and…
Changing the microstructure properties of a space-time metamaterial while a wave is propagating through it, in general requires addition or removal of energy, which can be of exponential form depending on the type of modulation. This limits…
The low temperature properties of fermionic solids are governed by spin exchanges. Near the melting transition, the spin-exchange energy increases as well as the relative contribution of large loops. In this paper, we check the convergence…
We propose a modification of the embedded-atom method-type potential aiming at reconciling simulated melting and ground-state properties of metals by means of classical molecular dynamics. Considering titanium, magnesium, gold, and platinum…
We study fluid structure and water-like anomalies of a system constituted by dimeric particles interacting via a purely repulsive core-softened potential by means of integral equation theories. In our model, dimers interact through a…
Parallel tempering, also known as replica exchange Monte Carlo, is studied in the context of two simple free energy landscapes. The first is a double well potential defined by two macrostates separated by a barrier. The second is a `golf…
Ferri-/ferromagnetic exchange coupled composites are promising candidates for bit patterned media because of the ability to control the magnetic properties of the ferrimagnet by its composition. A micromagnetic model for the bilayer system…
Dipolar interactions are ubiquitous in nature and rule the behavior of a broad range of systems spanning from energy transfer in biological systems to quantum magnetism. Here, we study magnetization-conserving dipolar induced spin-exchange…
A wide range of geophysical methods is used for the exploration of deep geothermal resources. It aimsat characterizing the deep fractured network and its capacity for fluid/heat extraction. This relieshowever on the capacity of geophysical…