Direct-list algorithm for configuration interaction calculations. - Laura Gagliardi; Gian Luigi Bendazzoli; Stefano Evangelisti (J. Comput. Chem., 1997)

MOF: creating an educational game on nanotechnology through simulation-driven optimization. - Tiannan Chen; Xiangyun Lei; Hakan Demir; Christopher J. Cramer; Laura Gagliardi; Stephen J. Guy (MIG, 2016)

Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table. - Francesco Aquilante; Jochen Autschbach; Rebecca K. Carlson; Liviu F. Chibotaru; Mickaël G. Delcey; Luca De Vico; Ignacio Fdez. Galván; Nicolas Ferré; Luis Manuel Frutos; Laura Gagliardi; Marco Garavelli; Angelo Giussani; et al. (J. Comput. Chem., 2016)

Quanta-Bind: A Quantum Computing Pipeline for Modeling Strongly Correlated Metal-Protein Interactions. - Tarini S. Hardikar; Kenneth Heitritter; James Brown; Ruhee D'Cunha; Abhishek Mitra; Shaun Weatherly; Yuan Liu; Matthew Otten; Troy A. Van Voorhis; Laura Gagliardi; Kanav Setia (QCE, 2024)

QMMM 2023: A program for combined quantum mechanical and molecular mechanical modeling and simulations. - Hai Lin 007; Yan Zhang; Soroosh Pezeshki; Adam W. Duster; Bo Wang; Xin-Ping Wu; Shi-Wen Zheng; Laura Gagliardi; Donald G. Truhlar (Comput. Phys. Commun., 2024)

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)

Computational Chemistry in the Global South: A Latin American Perspective. - Sergio Pantano; Luciana Capece; Laura Gagliardi; Kenneth M. Merz Jr.; Victor S. Batista; Thereza A. Soares (J. Chem. Inf. Model., 2025)