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.
The Non-Symmetrized Hyperspherical Harmonics method (NSHH) is introduced in the hypernuclear sector and benchmarked with three different ab-initio methods, namely the Auxiliary Field Diffusion Monte Carlo method, the Faddeev-Yakubovsky approach and the Gaussian Expansion Method. Binding energies and hyperon separation energies of three-to five-body hypernuclei are calculated by employing the two-body ΛN component of the phenomenological Bodmer-Usmani potential [1], and a hyperon-nucleon interaction [2] simulating the scattering phase shifts given by NSC97f [3]. The range of applicability of the NSHH method is briefly discussed.
Abstract. We have adapted the non-symmetrized hyperspherical harmonics method (NSHH) in order to treat light hypernuclei. In the past the method has been applied in the atomic and nuclear context dealing with identical particle systems exclusively. We have generalized and optimized the formalism in presence of two different species of particles, namely nucleons and hyperons. Preliminary benchmark results with a modern realistic 2-body nucleon-hyperon interaction are provided.
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