Genetic Algorithms: A Robust Scheme for Geometry Optimizations and Global Minimum Structure Problems. - Jordi Mestres; Gustavo E. Scuseria (J. Comput. Chem., 1995)

Electron correlation in large molecular systems using the atomic orbital formalism. The case of intermolecular interactions in crystalline urea as an example. - Philippe Y. Ayala; Gustavo E. Scuseria (J. Comput. Chem., 2000)

Linear scaling electronic structure methods in chemistry and physics. - Stefan Goedecker; Gustavo E. Scuseria (Comput. Sci. Eng., 2003)

Computational chemistry. - William L. Hase; Gustavo E. Scuseria (Comput. Sci. Eng., 2003)

Dispersion in the Mott insulator UO2: A comparison of photoemission spectroscopy and screened hybrid density functional theory. - Lindsay E. Roy; Tomasz Durakiewicz; Richard L. Martin 001; Juan E. Peralta; Gustavo E. Scuseria; Cliff G. Olson; John J. Joyce; Ela Guziewicz (J. Comput. Chem., 2008)

Role of nonlocal exchange in molecular crystals: The case of two proton-ordered phases of ice. - Frédéric Labat; Claude Pouchan; Carlo Adamo; Gustavo E. Scuseria (J. Comput. Chem., 2011)

Performance of density functional theory in computing nonresonant vibrational (hyper)polarizabilities. - Ireneusz W. Bulik; Robert Zalesny; Wojciech Bartkowiak; Josep M. Luis; Bernard Kirtman; Gustavo E. Scuseria; Aggelos Avramopoulos; Heribert Reis; Manthos G. Papadopoulos (J. Comput. Chem., 2013)