相关论文: Dimer Metadynamics
We introduce a new overlapping Domain Decomposition Method (DDM) to solve the fully nonlinear Monge-Amp\`ere equation. While DDMs have been extensively studied for linear problems, their application to fully nonlinear partial differential…
We propose a novel mechanism for the coexistence of metallic ferromagnetism and singlet superconductivity assuming that the magnetic instability is due to kinetic exchange. Within this scenario, the unpaired electrons which contribute to…
For quantum systems with competing potentials, the conventional perturbation theory often yields an asymptotic series and the subsequent numerical outcome becomes uncertain. To tackle such kind of problems, we develop a general solution…
A multiscale theory of interacting continuum mechanics and thermodynamics of mixtures of fluids, electrodynamics, polarization and magnetization is proposed. The mechanical (reversible) part of the theory is constructed in a purely…
Interesting magnetic properties and spin-exchange interactions along various possible pathways in half-integral spin quantum magnetic tetramer system: A$_{2}$PO$_{4}$OH (A = Co, Cu) are investigated. Interplay of structural distortion and…
Phase separation of binary fluids quenched by contact with cold external walls is considered. Navier-Stokes, convection-diffusion, and energy equations are solved by lattice Boltzmann method coupled with finite-difference schemes. At high…
Recently, there has been a surge in the interest of non-equilibrium collective quantum models, where particle dispersion and spin are examples of effects taken into account. Here, we derive a kinetic plasma model con- taining fermion…
Molecular dynamics is the primary computational method by which modern structural biology explores macromolecule structure and function. Boltzmann generators have been proposed as an alternative to molecular dynamics, by replacing the…
Reciprocity is a fundamental principle governing various physical systems, which ensures that the transfer function between any two points in space is identical, regardless of geometrical or material asymmetries. Breaking this transmission…
We show a new mechanism to extract energy from non-equilibrium fluctuations typical of periodically driven non-Hermitian systems. The transduction of energy between the driving force and the system is revealed by an \emph{anomalous}…
Interacting Fermi systems in the strongly correlated regime play a fundamental role in many areas of physics and are of particular interest to the condensed matter community. Though weakly inter- acting fermions are understood, strongly…
A dynamical method for inelastic transport simulations in nanostructures is compared with a steady-state method based on non-equilibrium Green's functions. A simplified form of the dynamical method produces, in the steady state in the…
We propose a novel approach in the study of transport phenomena in dense systems or systems with long range interactions where multiple particle interactions must be taken into consideration. Within Boltzmann's kinetic formalism, we study…
We consider a sharp-interface approach for the inviscid isothermal dynamics of compressible two-phase flow, that accounts for phase transition and surface tension effects. To fix the mass exchange and entropy dissipation rate across the…
We study the properties of the two-dimensional Fermi polaron model in which an impurity attractively interacts with a Fermi sea of particles in the zero-range limit. We use a diagrammatic Monte Carlo (DiagMC) method which allows us to…
The widely used double-bridging hybrid (DBH) method for equilibrating simulated entangled polymer melts [R. Auhl et al., J. Chem. Phys. v. 119, p. 12718, 2003] loses its effectiveness as chain stiffness increases into the semiflexible…
Recent experiments indicate that electromagnetic hysteresis behavior can be exhibited at the molecular level.A MD simulation using 2-body potentials and switches to form and break bonds is implemented to determine whether chemical reaction…
Experiments with ultracold atoms provide a highly controllable laboratory setting with many unique opportunities for precision exploration of quantum many-body phenomena. The nature of such systems, with strong interaction and quantum…
Parallel tempering, also known as replica exchange sampling, is an important method for simulating complex systems. In this algorithm simulations are conducted in parallel at a series of temperatures, and the key feature of the algorithm is…
A central problem in machine learning involves modeling complex data-sets using highly flexible families of probability distributions in which learning, sampling, inference, and evaluation are still analytically or computationally…