Related papers: Self-consistent field theory based molecular dynam…
Three non-existence results are established for self-gravitating solitons in Einstein-Maxwell-scalar models, wherein the scalar field is, generically, non-minimally coupled to the Maxwell field via a scalar function $f(\Phi)$. Firstly, a…
In this paper, one of the major shortcomings of the conventional numerical approaches is alleviated by introducing the probabilistic nature of molecular transitions into the framework of classical computational electrodynamics. The main aim…
Polymer self-consistent field theory techniques are used to derive quantum density functional theory without the use of the theorems of density functional theory. Instead, a free energy is obtained from a partition function that is…
We investigate some fundamental features of a class of non-linear relativistic lagrangian field theories with kinetic self-coupling. We focus our attention upon theories admitting static, spherically symmetric solutions in three space…
We discuss the nature of phase transitions in self-gravitating systems both in the microcanonical and in the canonical ensemble. We avoid the divergence of the gravitational potential at short distances by considering the case of…
We investigate the application of conformable derivatives to model critical phenomena near continuous phase transitions. By incorporating a deformation parameter into the differential structure, we derive unified expressions for…
A mathematical model of the evolution of plane perturbations in the cosmological statistical system of completely degenerated scalar-charged fermions with the Higgs scalar interaction is formulated. A complete closed system of differential…
A novel soliton-like solution in quantum electrodynamics is obtained via a self-consistent field method. By writing the Hamiltonian of quantum electrodynamics in the Coulomb gauge, we separate out a classical component in the density…
We introduce an efficient Langevin method to study bilinear Fermionic Hamiltonians interacting with classical fields. Our method is suitable for very large systems and offers high accuracy. To demonstrate the method, we study complex…
It is shown that the Shan-Chen (SC) model for non-ideal lattice fluids can be made compliant with a pseudo free-energy principle by simple addition of a gradient force, whose expression is uniquely specified in terms of the fluid density.…
Simulating electrochemical interfaces using density functional theory (DFT) requires incorporating the effects of electrochemical potential. The electrochemical potential acts as a new degree of freedom that can effectively tune DFT results…
Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…
Canonical quantum correlation observables can be approximated by classical molecular dynamics. In the case of low temperature the ab initio molecular dynamics potential energy is based on the ground state electron eigenvalue problem and the…
The method of complex Langevin simulations is a tool that can be used to tackle the complex-action problem encountered, for instance, in finite-density lattice quantum chromodynamics or real-time lattice field theories. The method is based…
We develop the connection between large deviation theory and more applied approaches to stochastic hybrid systems by highlighting a common underlying Hamiltonian structure. A stochastic hybrid system involves the coupling between a…
Quantum computers can be used to simulate nonlinear non-Hamiltonian classical dynamics on phase space by using the generalized Koopman-von Neumann formulation of classical mechanics. The Koopman-von Neumann formulation implies that the…
We propose a computationally lean, two-stage approach that reliably predicts self-assembly behavior of complex charged molecules on a metallic surfaces under electrochemical conditions. Stage one uses ab initio simulations to provide…
This paper is devoted to presenting a rigorous mathematical derivation for the classical phenomenon in Maxwell's theory that a charged particle moves along a straight line in a constant electromagnetic field if the initial velocity is…
We study the effective dynamics of an open scalar field interacting with a strongly-coupled two-dimensional rotating CFT plasma. The effective theory is determined by the real-time correlation functions of the thermal plasma. We employ…
We present a Quantum Monte Carlo (QMC) study, based on the Langevin equation, of a Hamiltonian describing electrons coupled to phonon degrees of freedom. The bosonic part of the action helps control the variation of the field in imaginary…