Silvia Maria Casassa

15PUBLICATIONS
29CO-AUTHORS
Quantum computationFormal methods for softwareElectrical energy storageTheoretical quantum chemistryElemental semiconductors
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Publications (15)

|Jan 26, 2026
Nudged elastic band method in the CRYSTAL code: Theory and Applications.

Andreha Gelli, Silvia Casassa, Albert Rimola

|Feb 25, 2025
Accelerated linear algebra for large scale DFT calculations of materials on CPU/GPU architectures with CRYSTAL.

Giacomo Ambrogio, Lorenzo Donà, Jacques K Desmarais

|Jul 31, 2024
Path ahead: Tackling the Challenge of Computationally Estimating Lithium Diffusion in Cathode Materials.

Laura Bonometti, Loredana E Daga, Riccardo Rocca

|Apr 22, 2024
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.

Chiara Ribaldone, Silvia Casassa

|Mar 13, 2024
Crucial Role of Ni Point Defects and Sb Doping for Tailoring the Thermoelectric Properties of ZrNiSn Half-Heusler Alloy: An Ab Initio Study.

Eleonora Ascrizzi, Chiara Ribaldone, Silvia Casassa

|Dec 11, 2023
Stability and Formation of the Li3PS4/Li, Li3PS4/Li2S, and Li2S/Li Interfaces: A Theoretical Study.

Naiara Leticia Marana, Silvia Casassa, Mauro Francesco Sgroi

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Frequent Collaborators

6 joint publications

Lorenzo Maschio

5 joint publications

Chiara Ribaldone

4 joint publications

Alessandro Erba

4 joint publications

Naiara Leticia Marana