Related papers: Self-consistent field theory based molecular dynam…
It is demonstrated that the canonical distribution for a subsystem of a closed system follows directly from the solution of the time-reversible Newtonian equation of motion in which the total energy is strictly conserved. It is shown that…
A new formulation of the Maxwell equations based on two vector and two scalar potentials is proposed. The use of these potentials allows the electromagnetic field equations to be written in the form of a hyperbolic system. In contrast to…
Euclidean quantum fields obtained as solutions of stochastic partial pseudo differential equations driven by a Poisson white noise have paths given by locally integrable functions. This makes it possible to define a class of ultra-violet…
A detailed qualitative analysis and numerical modeling of the evolution of cosmological models based on nonlinear classical and phantom scalar fields with self-action are performed. Complete phase portraits of the corresponding dynamical…
The periodic Anderson model (PAM) captures the essential physics of heavy fermion materials. Yet even for the paramagnetic metallic phase, a practicable many-body theory that can simultaneously handle all energy scales while respecting the…
When analysing statistical systems or stochastic processes, it is often interesting to ask how they behave given that some observable takes some prescribed value. This conditioning problem is well understood within the linear operator…
We show that optimal control of the electron dynamics is able to prepare molecular ground states, within chemical accuracy, with evolution times approaching the bounds imposed by quantum mechanics. We propose a specific parameterization of…
We present a simulation strategy for the real-time dynamics of quantum fields, inspired by reinforcement learning. It builds on the complex Langevin approach, which it amends with system specific prior information, a necessary prerequisite…
A theory of equilibrium states of electrons above a liquid helium surface in the presence of an external clamping field is built based on the first principles of quantum statistics for the system of many identical Fermi-particles. The…
State of the art numerical models of the Geodynamo are still performed in a parameter regime extremely remote from the values relevant to the physics of the Earth's core. In order to establish a connection between dynamo modeling and the…
A great many observables seen in intermediate energy heavy ion collisions can be explained on the basis of statistical equilibrium. Calculations based on statistical equilibrium can be implemented in microcanonical ensemble (energy and…
Polymeric ionic liquids are emerging polyelectrolyte materials for modern electrochemical applications. In this paper, we propose a self-consistent field theory of the polymeric ionic liquid on a charged conductive electrode. Taking into…
Transient stability is crucial to the reliable operation of power systems. Existing theories rely on the simplified electromechanical models, substituting the detailed electromagnetic dynamics of inductor and capacitor with their impedance…
This is a review paper concerned with the global consistency of the quantum dynamics of non-commutative systems. Our point of departure is the theory of constrained systems, since it provides a unified description of the classical and…
The concept of conformal field theory provides a general classification of statistical systems on two-dimensional geometries at the point of a continuous phase transition. Considering the finite-size scaling of certain special observables,…
Different formulas relying measurable fragment isotopic observables to the symmetry energy of excited nuclei have been proposed and applied to the analysis of heavy ion collision data in the recent literature. In this paper we examine the…
Linear-scaling electronic structure methods based on the calculation of moments of the underlying electronic Hamiltonian offer a computationally efficient and numerically robust scheme to drive large-scale atomistic simulations, in which…
The complex scaling method, which consists in continuing spatial coordinates into the complex plane, is a well-established method that allows to compute resonant eigenfunctions of the time-independent Schroedinger operator. Whenever it is…
Numerical algorithms are proposed for simulating the Brownian dynamics of charged particles in an external magnetic field, taking into account the Brownian motion of charged particles, damping effect and the effect of magnetic field…
This paper studies convergence to equilibrium for second-order Langevin dynamics under general growth conditions on the potential. Although we are principally motivated by the case when the potential is singular, e.g. when the dynamics has…