相关论文: Shifted forces in molecular dynamics
The idea of reduction of couplings in renormalizable theories will be presented and then will be applied in Particle Physics models. Reduced couplings appeared as functions of a primary one, compatible with the renormalization group…
In the literature of calculating atomic and molecular structures, most Schrodinger equations are described by Coulomb potential. However, there are also a few literatures that discuss some magnetic correction methods, such as Pauli and…
The potential of mean force (PMF) between two nano crystals (NCs) represents an effective interaction potential that can be used to study the assembly of NCs to various superstructures. For a given temperature, the effective interaction is…
The Lennard-Jones (LJ) potential is a cornerstone of Molecular Dynamics (MD) simulations and among the most widely used computational kernels in science. The potential models atomistic attraction and repulsion with century old prescribed…
The low-momentum interaction $V_{\text{low-k}}$ derived from realistic models of the nucleon-nucleon interaction is presented in a separable form. This separable force is supported by a contact interaction in order to achieve the saturation…
In this work we propose an extension to the analytical one-dimensional model proposed by E. Gnecco (Phys. Rev. Lett. 84:1172) to describe friction. Our model includes normal forces and the dependence with the angular direction of movement…
The Newtonian dynamics of strongly confined fluids exhibits a rich behavior. Its confined and unconfined degrees of freedom decouple for confinement length $L \to 0$. In that case and for a slit geometry the intermediate scattering…
Modern machine learning force fields (ML-FF) are able to yield energy and force predictions at the accuracy of high-level $ab~initio$ methods, but at a much lower computational cost. On the other hand, classical molecular mechanics force…
Employing simplified models in computer simulation is on the one hand often enforced by computer time limitations but on the other hand it offers insights into the molecular properties determining a given physical phenomenon. We employ this…
This paper compares the Wolf method to the shifted forces (SF) method for efficient computer simulation of isotropic systems interacting via Coulomb forces, taking results from the Ewald summation method as representing the true behavior.…
Finite-volume extrapolation is an important step for extracting physical observables from lattice calculations. However, it is a significant challenge for the system with long-range interactions. We employ symbolic regression to regress…
The renormalization of the chiral nuclear interactions is studied. In leading order, the cutoff dependence is related to the singular tensor interaction of the one-pion exchange potential. In S waves and in higher partial waves where the…
Pion-meson-exchange nucleon-nucleon potentials are derived for two nucleons in the intermediate states. The mesons we include are (i) pseudoscalar mesons: $\pi, \eta, \eta'$; (ii) vector mesons: $\rho, \omega, \phi$; (iii) scalar mesons:…
Relativistic exchange current corrections to neutrino--nucleus cross sections are presented assuming non--vanishing strange quark form factors for the constituent nucleons. For charged current processes the exchange current corrections can…
We explore three-nucleon forces (3NF) from lattice QCD simulations. Utilizing the Nambu-Bethe-Salpeter (NBS) wave function, two-nucleon forces (2NF) and 3NF are determined on the same footing. Quantum numbers of the three-nucleon (3N)…
We study possible theoretical deviations from SM in top quark physics which alter the decay properties of the top quark. Using effective filed theory techniques we parametrize the effects of potential NP of scales well above the electroweak…
The contact interaction is often used in modeling ultracold atomic gases, although it leads to pathological behavior arising from the divergence of the many-body wavefunction when two particles coalesce. This makes it difficult to use this…
We show within a geometrical model developed in earlier papers that multiplicity distributions are cut off at large multiplicities. The position and motion of the cut-off point is related to geometrical- and KNO scaling and their violation,…
The renormalization of the effective field theories (EFTs) in many-body systems is the most pressing and challenging problem in modern nuclear ab initio calculation. For general non-relativistic EFTs, we prove that the renormalization group…
We show that finite-range alternatives to the standard long-range BKS pair potential for silica might be used in molecular dynamics simulations. We study two such models that can be efficiently simulated since no Ewald summation is…