GCM solver (ver. 3.0): a {\it Mathematica} notebook for diagonalization of the Geometric Collective Model (Bohr hamiltonian) with generalized Gneuss-Greiner potential

The program diagonalizes the Geometric Collective Model (Bohr Hamiltonian) with generalized Gneuss–Greiner potential with terms up to the sixth power in β . In nuclear physics, the Bohr–Mottelson model with later extensions into the rotovibrational Collective model is an important theoretical tool with predictive power and it represents a fundamental step in the education of a nuclear physicist. Nuclear spectroscopists might find it useful for fitting experimental data, reproducing spectra, EM transitions and moments and trying theoretical predictions, while students might find it useful for learning about connections between the nuclear shape and its quantum origin. Matrix elements for the kinetic energy operator and for scalar invariants as β 2 and β 3 cos ( 3 γ ) have been calculated in a truncated five-dimensional harmonic oscillator basis with a different program, checked with three different methods and stored in a matrix library for the lowest values of angular momentum. These matrices are called by the program that uses them to write generalized Hamiltonians as linear combinations of certain simple operators. Energy levels and eigenfunctions are obtained as outputs of the diagonalization of these Hamiltonian operators

Quantum ESPRESSO: One Further Step toward the Exascale

We review the statusof the Quantum ESPRESSO softwaresuite for electronic-structure calculations based on plane waves,pseudopotentials, and density-functional theory. We highlight therecent developments in the porting to GPUs of the main codes, usingan approach based on OpenACC and CUDA Fortran offloading.We describe, in particular, the results achieved on linear-responsecodes, which are one of the distinctive features of the QuantumESPRESSO suite. We also present extensive performance benchmarkson different GPU-accelerated architectures for the main codes of thesuite

Non-Symmetrized Hyperspherical Harmonics Method Applied to Light Hypernuclei

The present work is conducted in the field of few-body methods and it concerns the extension of the Non-Symmetrized Hyperspherical Harmonics method in order to treat quantum systems with different species of particles and additional degrees of freedom, like particle mixing. The aim is to introduce it as a new tool in the ab-initio study of light hypernuclei, and, more in general, of few-body quantum systems composed by a variety of different objects. To this end precise benchmark results for light hypernuclei with A=3-5 are provided and the perspectives of applications to systems with A>5 and the employment of the most recent hypernuclear interactions are discussed

Quantum ESPRESSO toward the exascale

Quantum ESPRESSO is an open-source distribution of computer codes for quantum-mechanical materials modeling, based on density-functional theory, pseudopotentials, and plane waves, and renowned for its performance on a wide range of hardware architectures, from laptops to massively parallel computers, as well as for the breadth of its applications. In this paper, we present a motivation and brief review of the ongoing effort to port Quantum ESPRESSO onto heterogeneous architectures based on hardware accelerators, which will overcome the energy constraints that are currently hindering the way toward exascale computing