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The inclusion of electronic polarization is of crucial importance in molecular simulations of systems containing charged moieties. When neglected, as often done in force field simulations, charge-charge interactions in solution may become…
The electric dipole polarizability $\alpha_D$ and the neutron skin thickness $\Delta R_{np}$ of $^{208}\mathrm{Pb}$ are two powerful and clean probes to constrain the symmetry energy at subsaturation density. Within the framework of the…
We consider two three-dimensional isotropic harmonic oscillators interacting with the quantum electromagnetic field in the Coulomb gauge and within dipole approximation. Using a Bogoliubov-like transformation, we can obtain transformed…
Constraint Molecular dynamics CoMD calculations have been performed for symmetric nuclear matter (NM) by using a simple effective interactions of the Skyrme type. The set of parameter values reproducing common accepted saturation properties…
We study a self-interacting scalar field theory in the presence of a \delta-function background potential. The role of surface interactions in obtaining a renormalizable theory is stressed and demonstrated by a two-loop calculation. The…
Single particle spin-orbit interaction energy problem in nuclear shell structure is solved through negative harmonic oscillator in the self-similar-structure shell model (SSM) [4] and considering quarks' contributions on single particle…
The main progress in the field of nucleon-nucleon (NN) potentials, which we have seen in recent years, is the construction of some very quantitative (high-quality/high-precision) NN potentials. These potentials will serve as excellent input…
We study the electric dipole polarizability $\alpha_D$ in ${}^{208}$Pb based on the predictions of a large and representative set of relativistic and non-relativistic nuclear mean field models. We adopt the droplet model as a guide to…
It is shown that the use of a density dependent effective Pauli potential together with a nucleon-nucleon interaction potential plays a crucial role to reproduce not only the binding energies but also the matter root mean square radii of…
Molecular dynamics (MD) simulations of the zeta potential are so poor that it has become common to term their predictions 'apparent'. Here we demonstrate how zeta potentials that agree with measured values can be calculated by: (1)…
The non-relativistic static and dynamic dipole polarizabilities of hydrogen atom experiencing a cylindrical confinement are investigated. Two methods based on B-Splines are used for the computations of the energies and wavefunctions. The…
Electron scattering Coulomb form factors for the single-particle quadrupole transitions in $p$-shell $^{10}$B nucleus have been studied. Core polarization effects are included through a microscopic theory that includes excitations from the…
We briefly review recent theoretical and simulation studies of charged colloidal dispersions in alternating electric fields (AC fields). The response of single colloid to an external field can be characterized by a complex polarizability,…
We present a new method to solve the nuclear density functional theory (DFT) equations using a two-center harmonic oscillator for Skyrme-like functionals, incorporating pairing and Coulomb interactions. The goal is to efficiently determine…
Understanding fully the dynamics of coupled electron-nuclear spin systems, which are important for the development of long-lived qubits based on solid-state systems, remains a challenge. We show that in a singly charged semiconductor…
Within the frame of macroscopic QED in linear, causal media, we study the radiation force of Casimir-Polder type acting on an atom which is positioned near dispersing and absorbing magnetodielectric bodies and initially prepared in an…
While there have been many developments in computational probes of both strongly-correlated molecular systems and machine-learning accelerated molecular dynamics, there remains a significant gap in capabilities in simulating accurate…
We review the Lorentz integral transform coupled-cluster method for the calculation of the electric dipole polarizability. We benchmark our results with exact hyperspherical harmonics calculations for 4He and then we move to a heavier…
In this perspective, we discuss where and how accounting for electronic many-body polarization affects the accuracy of classical molecular dynamics simulations of biomolecules.While the effects of electronic polarization are highly…
Extended Lagrangian molecular dynamics (XLMD) is a general method for performing molecular dynamics simulations using quantum and classical many-body potentials. Recently several new XLMD schemes have been proposed and tested on several…