works on

From the 1 of 100 papers with an AI index.

output
19972026
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations

Showing 2025Show all

19 papers · 1 filter

astro-ph.IM2025★ 7 cited

EuroHPC SPACE CoE: Redesigning Scalable Parallel Astrophysical Codes for Exascale

Nitin Shukla, Alessandro Romeo, Caterina Caravita +36

High Performance Computing (HPC) based simulations are crucial in Astrophysics and Cosmology (A&C), helping scientists investigate and understand complex astrophysical phenomena. T…

physics.chem-ph2025

QMCkl: A Kernel Library for Quantum Monte Carlo Applications

Emiel Slootman, Vijay Gopal Chilkuri, Aurelien Delval +16

Quantum Monte Carlo (QMC) methods deliver highly accurate electronic structure calculations but are computationally intensive. The quantum Monte Carlo kernel library (QMCkl) provid…

astro-ph.IM2025

Braginskii Viscosity in Cosmological Simulations of Galaxy Clusters: Implementation, Validation, and First Application

Tirso Marin-Gilabert, Ulrich P. Steinwandel, Milena Valentini +2

We present the implementation of an anisotropic viscosity solver within the magnetohydrodynamics (MHD) framework of the TreeSPH code OpenGadget3. The solver models anisotropic visc…

cond-mat.mtrl-sci2025★ 1 cited

AMaRaNTA: Automated First-Principles Exchange Parameters In 2D Magnets

Federico Orlando, Andrea Droghetti, Lorenzo Varrassi +7

Two-dimensional (2D) magnets host a wide range of exotic magnetic textures, whose low-energy excitations and finite-temperature properties are typically described by effective spin…

astro-ph.GA2025★ 2 cited

Characterizing the roles of transitory obscured phases and inner torus in shaping the fractions of obscured AGN at cosmic noon

Alba V. Alonso-Tetilla, Francesco Shankar, Fabio Fontanot +11

The origin of obscuration in Active Galactic Nuclei (AGN) is still a matter of contention. It is unclear whether obscured AGN are primarily due to line-of-sight effects, a transito…

physics.app-ph2025★ 39 cited

Coupled CFD-DEM model for dry powder inhalers simulation: validation and sensitivity analysis for the main model parameters

Raffaele Ponzini, Roberto Da Vià, Simone Bnà +2

The use of computational techniques in the design of dry powder inhalers (DPI), as well as in unravelling the complex mechanisms of drug aerosolization, has increased significantly…