Related papers: Car-Parrinello Molecular Dynamics With A Sinusoida…
We investigate the role of external constraints in quantum field theory using the path integral formalism. We begin by reviewing the quantization of constrained systems and extend the analysis to cases where constraints are added to the…
We numerically solve the underdamped Langevin equation to obtain the trajectories of a particle in a sinusoidal potential driven by a temporally sinusoidal force in a medium with coefficient of friction periodic in space as the potential…
We study the behavior of strongly interacting matter under a uniform intense external magnetic field in the context of nonlocal extensions of the Polyakov-Nambu-Jona-Lasinio model. A detailed description of the formalism is presented,…
The problem of finding superintegrable Hamiltonians and their integrals of motion can be reduced to solving a series of compatibility equations that result from the overdetermination of the commutator or Poisson bracket relations. The…
A new pairwise hybrid machine-learning/molecular mechanics (ML/MM) potential is introduced that is conceived for application to large, heterogeneous condensed-phase systems. The PhysNet ML method describes monomers and short-range dimer…
We present the N=2 supersymmetric formulation for the classical and quantum dynamics of a nonrelativistic charged particle on a curved surface in the presence of a perpendicular magnetic field. For a particle moving on a constant-curvature…
Path integral molecular dynamics (PIMD) has been successfully applied to perform simulations of large bosonic systems in a recent work (Hirshberg et al., PNAS, 116, 21445 (2019)). In this work we extend PIMD techniques to study Green's…
Continuum solvent models have become a standard technique in the context of electronic structure calculations, yet, no implementations have been reported capable to perform molecular dynamics at solid-liquid interfaces. We propose here such…
This paper describes a method to do ab initio molecular dynamics in electronically excited systems within the random phase approximation (RPA). Using a dynamical variational treatment of the RPA frequency, which corresponds to the…
Ultracold atomic systems have been of great research interest in the past, with more recent attention being paid to systems of mixed species. In this work we carry out non-perturbative Path Integral Monte Carlo (PIMC) simulations of N…
We describe a new electrostatic Particle-In-Cell (PIC) code in curvilinear geometry called Curvilinear PIC (CPIC). The code models the microscopic (kinetic) evolution of a plasma with the PIC method, coupled with an adaptive computational…
In the following paper, we will study a charged scalar field under an electromagnetic external field taking into account the spatial confining of the system. We shall use the Coleman-Weinberg method in one-loop approximation to obtain the…
We study the dynamics of classical and quantum particles with spin and dipole moments in external fields within the framework of the general approach by making use of the projection technique. Applications include the neutrino physics in…
In this paper, we are concerned with a time-dependent transmission problem for a thermo-piezoelectric elastic body immersed in a compressible fluid. It is shown that the problem can be treated by the boundary-field equation method, provided…
We suggested a geometric approach to address the external field influence on the DNA molecules, described by the WLC model via geometric coupling. It consists in the introduction of the effective metrics depending on the potential of the…
The driving of vibrational motion by external electric fields is a topic of continued interest, due to the possibility of assessing new or metastable material phases with desirable properties. Here, we combine ab initio molecular dynamics…
The dynamics of molecular motors which occasionally detach from a heterogeneous track like DNA or RNA is considered. Motivated by recent single molecule experiments, we study a simple model for a motor moving along a disordered track using…
We investigate the self-energies of particles in an external magnetic field $B$. The dependence is generally of the type $\sqrt{P(B)}$ with $P$ a polynomial in $B$ and the participating masses. The non-analytic point depends on the mass and…
A combination of classical molecular dynamics (MD) and ab initio Car-Parrinello molecular dynamics (CPMD) simulations is used to investigate the adsorption of water on a free amorphous silica surface. From the classical MD SiO_2…
We show how to use boundary conditions to drive the evolution on a Quantum Mechanical system. We will see how this problem can be expressed in terms of a time-dependent Schr\"{o}dinger equation. In particular we will need the theory of…