Related papers: Parameterization of Stillinger-Weber Potential for…
We have studied p-shell nuclei using a two-frequency shell-model approach with an effective interaction derived from the Bonn-A nucleon-nucleon potential by means of a G-matrix folded-diagram method. Shell-model wave functions of two…
The first analytic topologically non-trivial solutions in the (3+1)-dimensional gauged non-linear sigma model representing multi-solitons at finite volume with manifest ordered structures generating their own electromagnetic field are…
We formulate an effective theory for the atom-mediated photon-photon interactions in a two-dimensional ``photon fluid'' confined in a Fabry-Perot resonator. With the atoms modelled by a collection of anharmonic Lorentz oscillators, the…
Here, we propose a comprehensive first-principle atomistic approach to predict the Wulff-Kaischew equilibrium shape of crystals heterogeneously integrated on a dissimilar material. This method uses both reconstructed surface and interface…
The use of machine learning methods for accelerating the design of crystalline materials usually requires manually constructed feature vectors or complex transformation of atom coordinates to input the crystal structure, which either…
Electric field gradients and chemical shielding tensors of the stable monoclinic crystal phase of ethanol are computed. The projector-augmented wave (PAW) and gauge-including projector-augmented wave (GIPAW) models in the periodic…
The paper describes a novel parametric excitation scheme that acts as a tunable amplifier by controlling two pumping signals and two nonlinear feedback terms. By modulating the stiffness of a mechanical oscillator with a digital signal…
We introduce the Computational 2D Materials Database (C2DB), which organises a variety of structural, thermodynamic, elastic, electronic, magnetic, and optical properties of around 1500 two-dimensional materials distributed over more than…
The phase change compound Ge$_2$Sb$_2$Te$_5$ (GST225) is exploited in advanced non-volatile electronic memories and in neuromorphic devices which both rely on a fast and reversible transition between the crystalline and amorphous phases…
Polymer self-consistent field theory techniques are used to find radial electron densities and total binding energies for isolated atoms. Quantum particles are modelled as Gaussian threads with ring-polymer architecture in a four…
Nonlocal coordinate space optical potentials for the scattering of 65 MeV protons from nuclei ranging in mass from 6Li to 238U have been defined by folding a complex, medium dependent effective interaction with the density matrix elements…
It has been conjectured that the Pauli exclusion principle alone may be responsible for a particular geometric arrangement of confined systems of identical fermions even when there is no interaction between them. These geometric structures,…
The sensitivity of nucleon-nucleus elastic scattering to the off-shell behavior of realistic nucleon-nucleon interactions is investigated when on-shell equivalent nucleon-nucleon potentials are used. The study is based on applications of…
Machine Learning (ML) techniques are revolutionizing the way to perform efficient materials modeling. Nevertheless, not all the ML approaches allow for the understanding of microscopic mechanisms at play in different phenomena. To address…
We study a phononic crystal interacting with an artificial atom { a superconducting quantum system { in the quantum regime. The phononic crystal is made of a long lattice of narrow metallic stripes on a quatz surface. The artificial atom in…
In this article, we study the plasmonic resonance of infinite photonic crystal mounted by the double negative nanoparticles in two dimensions. The corresponding physical model is described by the Helmholz equation with so called Bloch wave…
The $D$-dimensional Smorodinsky-Winternitz system, proposed some years ago by Evans, is re-examined from an algebraic viewpoint. It is shown to possess a potential algebra, as well as a dynamical potential one, in addition to its known…
We develop the theory to describe the equilibrium ion positions and phonon modes for a trapped ion quantum simulator in an oblate Paul trap that creates two-dimensional Coulomb crystals in a triangular lattice. By coupling the internal…
Many calculations require a simple classical model for the interactions between sp^2-bonded carbon atoms, as in graphene or carbon nanotubes. Here we present a new valence force model to describe these interactions. The calculated phonon…
Molecular dynamics simulations are used to generate an ensemble of saddles of the potential energy of a Lennard-Jones liquid. Classifying all extrema by their potential energy u and number of unstable directions k, a well defined relation…