works on

From the 1 of 17 linked papers with an AI index.

activity
20042025
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations · 39.4k across the 16 of their papers we have counts for

collaborators

17 papers

physics.comp-ph2025★ 42 cited

Investigation of particle dynamics and classification mechanism in a spiral jet mill through computational fluid dynamics and discrete element methods

Simone Bnà, Raffaele Ponzini, Mirko Cestari +3

Predicting the outcome of jet-milling based on the knowledge of process parameters and starting material properties is a task still far from being accomplished. Given the technical…

cond-mat.mtrl-sci2025★ 44 cited

Optical properties of emeraldine salt polymers from ab initio calculations: comparison with recent experimental data

Renato Colle, Pietro Parruccini, Andrea Benassi +1

We present absorption coefficient α(ω), transverse dielectric function ε(ω), optical conductivity σ(ω), and reflectance R(ω) calculated for an emeraldine salt conducting polymer in…

cs.LG2023★ 6 cited

Benchmarking FedAvg and FedCurv for Image Classification Tasks

Bruno Casella, Roberto Esposito, Carlo Cavazzoni +1

Classic Machine Learning techniques require training on data available in a single data lake. However, aggregating data from different owners is not always convenient for different…

cs.LG2023★ 1 cited

Experimenting with Normalization Layers in Federated Learning on non-IID scenarios

Bruno Casella, Roberto Esposito, Antonio Sciarappa +2

Training Deep Learning (DL) models require large, high-quality datasets, often assembled with data from different institutions. Federated Learning (FL) has been emerging as a metho…

cs.DC2021★ 1 cited

EXSCALATE: An extreme-scale in-silico virtual screening platform to evaluate 1 trillion compounds in 60 hours on 81 PFLOPS supercomputers

Davide Gadioli, Emanuele Vitali, Federico Ficarelli +7

The social and economic impact of the COVID-19 pandemic demands the reduction of the time required to find a therapeutic cure. In the contest of urgent computing, we re-designed th…

physics.comp-ph2021★ 2.1k cited

Quantum ESPRESSO toward the exascale

Paolo Giannozzi, Oscar Baseggio, Pietro Bonfà +12

Quantum ESPRESSO is an open-source distribution of computer codes for quantum-mechanical materials modeling, based on density-functional theory, pseudopotentials, and plane waves,…