Symmetry operation measures. - Mark Pinsky 002; David Casanova; Pere Alemany; Santiago Alvarez; David Avnir; Chaim Dryzun; Ziv Kizner; Alexander Sterkin (J. Comput. Chem., 2008)

Analytical methods for calculating Continuous Symmetry Measures and the Chirality Measure. - Mark Pinsky 002; Chaim Dryzun; David Casanova; Pere Alemany; David Avnir (J. Comput. Chem., 2008)

Symmetry measures of the electron density. - David Casanova; Pere Alemany; Santiago Alvarez (J. Comput. Chem., 2010)

Efficient implementation of restricted active space configuration interaction with the hole and particle approximation. - David Casanova (J. Comput. Chem., 2013)

Pseudosymmetry analysis of molecular orbitals. - David Casanova; Pere Alemany; Andrés Falceto; Abel Carreras; Santiago Alvarez (J. Comput. Chem., 2013)

How much tetraradical character is present in the Si6Ge9 cluster? - David Casanova (J. Comput. Chem., 2014)

Impact of Charge-Resonance Excitations on CT-Mediated J-Type Aggregation in Singlet and Triplet Exciton States of Perylene Di-Imide Aggregates: A TDDFT Investigation. - Yasi Dai; Maria Zubiria-Ulacia; David Casanova; Fabrizia Negri (Comput., 2022)

Quantum-centric supercomputing for materials science: A perspective on challenges and future directions. - Yuri Alexeev; Maximilian Amsler; Marco Antonio Barroca; Sanzio Bassini; Torey Battelle; Daan Camps; David Casanova; Young Jay Choi; Frederic T. Chong; Charles Chung; Christopher Codella; Antonio D. Córcoles; et al. (Future Gener. Comput. Syst., 2024)