4.5k citations · 4.6k across the 4 of their papers we have counts for
4 papers
A Closeness Centrality-based Circuit Partitioner for Quantum Simulations
Doru Thom Popovici, Harlin Lee, Mauro Del Ben +5
Simulating quantum circuits (QC) on high-performance computing (HPC) systems has become an essential method to benchmark algorithms and probe the potential of large-scale quantum c…
Velocity-gauge real-time time-dependent density functional tight-binding for large-scale condensed matter systems
Qiang Xu, Mauro Del Ben, Mahmut Sait Okyay +3
We present a new velocity-gauge real-time, time-dependent density functional tight-binding (VG-rtTDDFTB) implementation in the open-source DFTB+ software package (https://dftbplus.…
CP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations
Thomas D. Kühne, Marcella Iannuzzi, Mauro Del Ben +36
CP2K is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular and biological systems. It is…
Reproducibility in Calculations for Solids
Tonatiuh Rangel, Mauro Del Ben, Daniele Varsano +13
Ab initio many-body perturbation theory within the approximation is a Green's function formalism widely used in the calculation of quasiparticle excitation energies of solids.…