相关论文: Metric tensor as the dynamical variable for variab…
Torsional-space Monte Carlo simulations of flexible molecules are usually based on the assumption that all values of dihedral angles have equal probability in the absence of atomic interactions. In the present paper it is shown that this…
We report a facile `metric' for the identification of structurally and dynamically (positive definite phonon structure) stable inorganic compounds. The metric considers charge-imbalance within the local substructures in crystalline…
We study the Husain-Kuchar model by introducing a new action principle similar to the self-dual action used in the Ashtekar variables approach to Quantum Gravity. This new action has several interesting features; among them, the presence of…
A new variational principle for optimizing thermal density matrices is introduced. As a first application, the variational many body density matrix is written as a determinant of one body density matrices, which are approximated by…
We present a new and improved method for simultaneous control of temperature and pressure in molecular dynamics simulations with periodic boundary conditions. The thermostat-barostat equations are build on our previously developed…
The properties of metric perturbations are determined in the context of an expanding Universe governed by a modified theory of gravity with a non-minimal coupling between curvature and matter. We analyse the dynamics of the 6 components of…
We investigate the dynamical coupling between the motion and the deformation of a single self-propelled domain based on two different model systems in two dimensions. One is represented by the set of ordinary differential equations for the…
In the direct approach to continua in reduced space dimensions, a thin shell is described as a mathematical surface in three-dimensional space. An exploratory kinematic study of such surfaces could be very valuable, especially if conducted…
We study thermodynamical formalism of a discrete nonautonomous dynamical system determined by a sequence of continuous self-maps of a compact metric space. Using the methods of Convex Analysis we get variational principles for pressure…
Calculating dynamical spin correlations is essential for matching model magnetic exchange Hamiltonians to momentum-resolved spectroscopic measurements. A major numerical bottleneck is the diagonalization of the dynamical matrix, especially…
We focus on studying, numerically, the scalar curvature tensor in a two-dimensional discrete space. The continuous metric of a two-sphere is transformed into that of a lattice using two possible slicings. In the first, we use two integers,…
Dynamic discrete choice models are widely employed to answer substantive and policy questions in settings where individuals' current choices have future implications. However, estimation of these models is often computationally intensive…
The proposed stochastic model for pedestrian dynamics is based on existing approaches using cellular automata, combined with substantial extensions, to compensate the deficiencies resulting of the discrete grid structure. This agent motion…
The development of traction-force microscopy, in the past two decades, has created the unprecedented opportunity of performing direct mechanical measurements on living cells as they adhere or crawl on uniform or micro-patterned substrates.…
We extend the phase field crystal model to accommodate exact atomic configurations and vacancies by requiring the order parameter to be non-negative. The resulting theory dictates the number of atoms and describes the motion of each of…
Computational atomic-scale methods continue to provide new information about geometry, energetics, and transition states for interstitial elements in crystalline lattices. This data can be used to determine the diffusivity of interstitials…
Motivated by rolling adhesion of white blood cells in the vasculature, we study how cells move in linear shear flow above a wall to which they can adhere via specific receptor-ligand bonds. Our computer simulations are based on a Langevin…
We construct the metric-affine analogue of the quadratic degenerate higher-order scalar-tensor (DHOST) theories. We begin with the metric-affine completion of the quadratic DHOST scalar-tensor action, which is linear in curvature and…
We experience a major paradigm change in mobile networks. The infrastructure of cellular networks becomes mobile as it is densified by using mobile and nomadic small cells to increase coverage and capacity. Furthermore, the innovative…
In this contribution we derive and analyze a new numerical method for kinetic equations based on a variable transformation of the moment approximation. Classical minimum-entropy moment closures are a class of reduced models for kinetic…