548 citations · 595 across the 13 of their papers we have counts for
13 papers
A unified formalism for collinear and non-collinear approaches in the four-component Dirac-Kohn-Sham theory based on G-spinors
Giulia Gamboni, Loriano Storchi, Paola Belanzoni +1
Non-collinear density functional theories were developed to extend the use of established collinear exchange-correlation functionals to systems with unpaired electrons in the prese…
gCAMB: A GPU-accelerated Boltzmann solver for next-generation cosmological surveys
L. Storchi, P. Campeti, M. Lattanzi +3
Inferring cosmological parameters from Cosmic Microwave Background (CMB) data requires repeated and computationally expensive calculations of theoretical angular power spectra usin…
Automatic generation of density fitting auxiliary basis sets for all electron Dirac-Kohn-Sham calculations
Nicolo' Antonini, Enrico Ronca, Loriano Storchi +1
In this study, we present a general workflow that enables the automatic generation of auxiliary density basis sets for all elements of the periodic table (from H to Og) to facilita…
Chemical bond analysis for the entire periodic table: Energy Decomposition and Natural Orbitals for Chemical Valence in the Four-Component Relativistic Framework
Diego Sorbelli, Paola Belanzoni, Loriano Storchi +4
Chemical bonding is a ubiquitous concept in chemistry and it provides a common basis for experimental and theoretical chemists to explain and predict the structure, stability and r…
Smart caching in a Data Lake for High Energy Physics analysis
Tommaso Tedeschi, Diego Ciangottini, Marco Baioletti +4
The continuous growth of data production in almost all scientific areas raises new problems in data access and management, especially in a scenario where the end-users, as well as…
Frozen-Density Embedding for including environmental effects in the Dirac-Kohn-Sham theory: an implementation based on density fitting and prototyping techniques
Matteo De Santis, Diego Sorbelli, Valerie Vallet +3
The Frozen Density Embedding scheme represents an embedding method in which environmental effects onto a given subsystem are included by representing the other subsystems making up…