Iterative induced dipoles computation for molecular mechanics on GPUs. - Frederico Pratas; Ricardo A. Mata; Leonel Sousa (GPGPU, 2010)

Atomdroid: A Computational Chemistry Tool for Mobile Platforms. - Jonas Feldt; Ricardo A. Mata; Johannes M. Dieterich (J. Chem. Inf. Model., 2012)

Computation of Induced Dipoles in Molecular Mechanics Simulations Using Graphics Processors. - Frederico Pratas; Leonel Sousa; Johannes M. Dieterich; Ricardo A. Mata (J. Chem. Inf. Model., 2012)

Accelerating the Computation of Induced Dipoles for Molecular Mechanics with Dataflow Engines. - Frederico Pratas; Diego Oriato; Oliver Pell; Ricardo A. Mata; Leonel Sousa (FCCM, 2013)

Free-energy perturbation and quantum mechanical study of SAMPL4 octa-acid host-guest binding energies. - Paulius Mikulskis; Daniela Cioloboc; Milica Andrejic; Sakshi Khare; Joakim Brorsson; Samuel Genheden; Ricardo A. Mata; Pär Söderhjelm; Ulf Ryde (J. Comput. Aided Mol. Des., 2014)

Efficient parallelization of perturbative Monte Carlo QM/MM simulations in heterogeneous platforms. - Sebastião Miranda; Jonas Feldt; Frederico Pratas; Ricardo A. Mata; Nuno Roma; Pedro Tomás (Int. J. High Perform. Comput. Appl., 2017)

Visualizing dispersion interactions through the use of local orbital spaces. - Axel Wuttke; Ricardo A. Mata (J. Comput. Chem., 2017)

Theoretical Studies of the Acid-Base Equilibria in a Model Active Site of the Human 20S Proteasome. - Jon Uranga; Lukas Hasecke; Jonny Proppe; Jan Fingerhut; Ricardo A. Mata (J. Chem. Inf. Model., 2021)

Replication Data for: In-Fjord Substitution in Expanded Helicenes: Effects of the Insert Size in the Helical Pitch and Inversion Barriers. - Ricardo A. Mata (GRO.data, 2021)

Replication Data for: In-Fjord Substitution in Expanded Helicenes: Effects of the Insert Size in the Helical Pitch and Inversion Barriers. - Ricardo A. Mata (GRO.data, 2021)

Replication Data for: In-Fjord Substitution in Expanded Helicenes: Effects of the Insert Size in the Helical Pitch and Inversion Barriers. - Ricardo A. Mata (GRO.data, 2021)

Automated handling of complex chemical structures in Z-matrix coordinates - The chemcoord library. - Oskar Weser; Björn Hein-Janke; Ricardo A. Mata (J. Comput. Chem., 2023)

The Catalytic Mechanism of Acetoacetate Decarboxylase: A Detailed Study of Schiff Base Formation, Protonation States, and Their Impact on Catalysis. - Jon Uranga; Ricardo A. Mata (J. Chem. Inf. Model., 2023)

Replication Data for: "Optimization of quantum nuclei positions with the adaptive Nuclear-Electronic Orbital approach". - Lukas Hasecke; Ricardo A. Mata (GRO.data, 2023)

Replication Data for: Local electronic correlation in multicomponent Møller-Plesset perturbation theory. - Lukas Hasecke; Ricardo A. Mata (GRO.data, 2024)

Replication Data for: Addressing anharmonic effects with density-fitted multicomponent density functional theory. - Lukas Hasecke; Maximilian Breitenbach; Martí Gimferrer; Rainer Oswald; Ricardo A. Mata (GRO.data, 2024)