
Publications
A High-Performance GPU-Accelerated Fock Build Algorithm
J. Chem. Theory Comput. 16, 12, 7232–7238, 2020
G. M. J. Barca, J. L. Galvez Vallejo, D. Poole, A. P. Rendell, and M. S. Gordon
Scaling the Hartree-Fock Matrix Build on Summit
SC20': Proceedings of the International Conference for High-Performance Computing, Networking, Storage and Analysis, (accepted)
G. M. J. Barca, D. Poole, J. L. Galvez Vallejo, M. Alkan, C. Bertoni, A. P. Rendell, and M. S. Gordon
Novel Computer Architectures and Quantum Chemistry
J. Phys. Chem. A, 124, 23, 4557-4582, 2020
M. S. Gordon, G. M. J. Barca, S. S. Leang, D. Poole, A. P. Rendell, J. L. Galvez Vallejo and B. Westheimer
Recent developments in the general atomic and molecular electronic structure system
J. Chem. Phys. 152, 154102, 2020
G. M. J. Barca, C. Bertoni, L. Carrington, D. Datta, N. De Silva, J. E. Deustua, D. G. Fedorov, [...], and Mark S. Gordon
Q-MP2-OS: Møller–Plesset Correlation Energy by Quadrature
J. Chem. Theory Comput. 16, 3, 1568, 2020
G. M. J. Barca, S. C. McKenzie, N. J. Bloomfield, A. T. B. Gilbert and P. M. W. Gill
Efficient Method for Calculating Effective Core Potential Integrals
J. Phys. Chem. A 122, 11, 3066, 2018
S. C. McKenzie, E. Epifanovsky, G. M. J. Barca, A. T. B. Gilbert and P. M. W. Gill
Simple models for difficult electronic excitations
J. Chem. Theory Comput. 14, 3, 1501, 2018
G. M. J. Barca, A. T. B. Gilbert and P. M. W. Gill
Excitation number: characterizing multiply excited states
J. Chem. Theory Comput. 14, 1, 9, 2018
G. M. J. Barca, A. T. B. Gilbert and P. M. W. Gill
Recurrence relations for four-electron integrals over Gaussian basis functions
Advances in Quantum Chemistry 76, 147, 2018
G. M. J. Barca and P.-F. Loos
Three-and four-electron integrals involving Gaussian geminals: Fundamental integrals, upper bounds, and recurrence relations
J. Chem. Phys. 147, 024103, 2018
G. M. J. Barca and P.-F. Loos
Single-Determinant Theory of Electronic Excited States and Many-Electron Integrals for Explicitly Correlated Methods
PQDT-Global, 2017
G. M. J. Barca
Two-electron integrals over Gaussian geminals
J. Chem. Theory Comput. 12, 10, 4915, 2016
G. M. J. Barca and P. M. W. Gill
Many-electron integrals over gaussian basis functions. I. Recurrence relations for three-electron integrals
J. Chem. Theory Comput. 12, 4, 1735, 2016
G. M. J. Barca, P.-F. Loos and P. M. W. Gill
On the modelling of the electrochemical phenomena at the electrode-solution interface of a PEF treatment chamber: effect of electrical parameters and chemical composition of model liquid food
Journal of Food Engineering 165, 45, 2015
G. Pataro, G. M. J. Barca, G. Donsi and G. Ferrari
On the modeling of electrochemical phenomena at the electrode-solution interface in a PEF treatment chamber: Methodological approach to describe the phenomenon of metal release
Journal of Food Engineering 165, 34, 2015
G. Pataro, G. M. J. Barca, G. Donsi and G. Ferrari
Communication: Hartree-Fock description of excited states of H2
J. Chem. Phys. 141, 111104, 2014
G. M. J. Barca, A. T. B. Gilbert and P. M. W. Gill
Quantification of metal release from stainless steel electrodes during conventional and pulsed ohmic heating
Innov. Food Sci. Emerg. Technol. 141, 111104, 2014
G. Pataro, G. M. J. Barca, R. Pereira, A. A. Vicente, J. A. Teixeira and G. Ferrari



