Related papers: Extended Lagrangian free energy molecular dynamics
Many Lagrangians of physical theories can be expressed as eigenvalues of certain, relatively simple, matrices involving Dirac gamma matrices. We give concrete examples for Lagrangian corresponding to a point particle coupled to…
We model spacetime foam by a gas of virtual wormholes. For a free scalar field we derive the effective Lagrangian which accounts for the interaction with spacetime foam and contains two additional non-local terms. One term describes the…
We have continued the development of Lagrangian, cosmological perturbation theory for the low-order correlators of the matter density field. We provide a new route to understanding how the effective field theory (EFT) of large-scale…
This paper proposes a physically consistent Gaussian Process (GP) enabling the identification of uncertain Lagrangian systems. The function space is tailored according to the energy components of the Lagrangian and the differential equation…
To predict flow behavior of entangled polymer melt, we have developed multiscale simulation composed of Lagrangian fluid particle simulation and coarse-grained polymer dynamics simulation. We have introduced a particle deformation in the…
We develop the thermodynamics of non-Markovian generalized Langevin equations by embedding them in a high-dimensional Markovian representation involving auxiliary degrees of freedom. If the memory is linear and satisfies detailed balance…
We revise critically existing approaches to evaluation of thermodynamic potentials within the Green's function calculations at finite electronic temperatures. We focus on the entropy and show that usual technical problems related to the…
Experimentalists now measure intense rotations of Lagrangian particles in turbulent flows by tracking their trajectories and Lagrangian-average velocity gradients at high Reynolds numbers. This paper formulates the dynamics of an…
We investigate the dynamical equivalence of quadratic Lagrangians and its relation to separation of variables. We show that requiring two quadratic Lagrangians to generate the same Euler--Lagrange equations imposes a compatibility condition…
For orbital-free {\it ab initio} molecular dynamics, especially on systems in extreme thermodynamic conditions, we provide the first pseudo-potential-adapted generalized gradient approximation (GGA) functional for the non-interacting free…
We propose an identification of the free parameter in the model of nonlinear electrodynamics proposed in P. Gaete and J. Helayel-Neto, Eur. Phys. J. C 74, 2816 (2014) by equating the second term in the power expansion of its Lagrangian with…
While ab initio many-body techniques have been able to successfully describe the properties of light and intermediate mass nuclei based on chiral effective field theory interactions, neutron-rich nuclei still remain out of reach for these…
Open effective field theories provide a systematic framework for describing physical systems interacting with an environment whose microscopic details are unknown, unobservable, or uncalculable. A basic step in constructing any effective…
Geometric continuum models for fluid lipid membranes are considered using classical field theory, within a covariant variational approach. The approach is cast as a higher-derivative Lagrangian formulation of continuum classical field…
The low-energy and low-momentum dynamics of systems with a spontaneously broken continuous symmetry is dominated by the ensuing Nambu-Goldstone bosons. It can be conveniently encoded in a model-independent effective field theory whose…
In this article, Euler-Lagrangian dynamics explain that the two particle interaction has non-conservative forces about the frame of the center of mass. This interpretation clarifies the underlying interaction and the system descriptions…
Quadratic Lagrangians are introduced adding surface terms to a free particle Lagrangian. Geodesic equations are used in the context of the Hamilton-Jacobi formulation of constrained sysytem. Manifold structure induced by the quadratic…
A rigorous two-thermostat formulation for ab-initio molecular dynamics using the fictitious Lagrangian approach is presented. It integrates the concepts of mass renormalization and temperature control for the wave functions. The new…
We present a simple and general method for construction of localized orbitals to describe electronic structure of extended periodic metals and insulators as well as confined systems. Spatial decay of these orbitals is found to exhibit…
The development and implementation of increasingly accurate methods for electronic structure calculations mean that, for many atomistic simulation problems, treating light nuclei as classical particles is now one of the most serious…