RIBALDONE, CHIARA
RIBALDONE, CHIARA
CHIMICA
Ab Initio Modeling of MultiWall: A General Algorithm First Applied to Carbon Nanotubes
2021-01-01 Marana, Naiara Leticia; Noel, Yves; Sambrano, Julio Ricardo; Ribaldone, Chiara; Casassa, Silvia
Accelerated linear algebra for large scale DFT calculations of materials on CPU/GPU architectures with CRYSTAL
2025-01-01 Ambrogio, Giacomo; Donà, Lorenzo; Desmarais, Jacques K.; Ribaldone, Chiara; Casassa, Silvia; Spiga, Filippo; Civalleri, Bartolomeo; Erba, Alessandro
Adiabatic Connection Methods Applied to Molecular Crystals
2026-01-01 Fabiano, Eduardo; Sarcinella, Fulvio; Della Sala, Fabio; Ribaldone, Chiara; Donà, Lorenzo; Civalleri, Bartolomeo; Maschio, Lorenzo
Born–Oppenheimer Molecular Dynamics with a Linear Combination of Atomic Orbitals and Hybrid Functionals for Condensed Matter Simulations Made Possible. Theory and Performance for the Microcanonical and Canonical Ensembles
2024-01-01 Ribaldone, Chiara; Casassa, Silvia
Crucial Role of Ni Point Defects and Sb Doping for Tailoring the Thermoelectric Properties of ZrNiSn Half-Heusler Alloy: An Ab Initio Study
2024-01-01 Ascrizzi, Eleonora; Ribaldone, Chiara; Casassa, Silvia
CRYSTAL23: A Program for Computational Solid State Physics and Chemistry
2023-01-01 Erba A.; Desmarais J.K.; Casassa S.; Civalleri B.; Donà Lorenzo; Bush I.J.; Searle B.; Maschio L.; Edith-Daga L.; Cossard A.; Ribaldone C.; Ascrizzi E.; Marana N.L.; Flament J.-P.; Kirtman B.
Development of Algorithms for Molecular Dynamics Simulations and Electronic Transport Properties in the CRYSTAL Code
2024-02-27
Fast inertial relaxation engine in the CRYSTAL code
2022-01-01 Ribaldone, Chiara; Casassa, Silvia
Nudged elastic band method in the CRYSTAL code: Theory and Applications
2026-01-01 Gelli, Andreha; Casassa, Silvia; Rimola, Albert; Ribaldone, Chiara
Spherical to Cartesian coordinates transformation for solid harmonics revisited: Construction of the Hartree potential
2025-01-01 Chiara Ribaldone; Jacques K. Desmarais