FORTRAN Interface for Code Interoperability in Quantum Chemistry: The Q5Cost Library. - Stefano Borini; Antonio Monari; Elda Rossi; Attila Tajti; Celestino Angeli; Gian Luigi Bendazzoli; Renzo Cimiraglia; Andrew P. J. Emerson; Stefano Evangelisti; Daniel Maynau; José Sánchez-Marín; Péter G. Szalay (J. Chem. Inf. Model., 2007)

Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model. - Elda Rossi; Stefano Evangelisti; Antonio Laganà; Antonio Monari; Sergio Rampino; Marco Verdicchio; Kim K. Baldridge; Gian Luigi Bendazzoli; Stefano Borini; Renzo Cimiraglia; Celestino Angeli; Peter Kallay; et al. (J. Comput. Chem., 2014)

Comparison of approximate intermolecular potentials for ab initio fragment calculations on medium sized N-heterocycles. - Bónis Barcza; Ádám B. Szirmai; Katalin J. Szántó; Attila Tajti; Péter G. Szalay (J. Comput. Chem., 2022)

Interpretation of molecular electron transport in ab initio many-electron framework incorporating zero-point nuclear motion effects. - Dávid P. Jelenfi; Attila Tajti; Péter G. Szalay (J. Comput. Chem., 2024)

Ab initio investigation of excited state charge transfer pathways in differently capped bithiophene cages. - Ahmed Shaalan Alag; Péter G. Szalay; Attila Tajti (J. Comput. Chem., 2024)

Foreword to the Special Issue for Hans Lischka. - Adélia J. A. Aquino; Mario Barbatti; Péter G. Szalay; Gernot Frenking (J. Comput. Chem., 2025)