A fast spectral method for electrostatics in doubly-periodic slit channels. - Ondrej Maxian; Raúl P. Peláez; Leslie Greengard; Aleksandar Donev (CoRR, 2021)

Simulations of dynamically cross-linked actin networks: Morphology, rheology, and hydrodynamic interactions. - Ondrej Maxian; Raúl P. Peláez; Alex Mogilner; Aleksandar Donev (PLoS Comput. Biol., 2021)

OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials. - Peter K. Eastman; Raimondas Galvelis; Raúl P. Peláez; Charlles R. A. Abreu; Stephen E. Farr; Emilio Gallicchio; Anton Gorenko; Michael M. Henry; Frank Hu; Jing Huang 004; Andreas Krämer; Julien Michel; et al. (CoRR, 2023)

TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations. - Raúl P. Peláez; Guillem Simeon; Raimondas Galvelis; Antonio Mirarchi; Peter K. Eastman; Stefan Doerr; Philipp Thölke; Thomas E. Markland; Gianni De Fabritiis (CoRR, 2024)

On the Inclusion of Charge and Spin States in Cartesian Tensor Neural Network Potentials. - Guillem Simeon; Antonio Mirarchi; Raúl P. Peláez; Raimondas Galvelis; Gianni De Fabritiis (CoRR, 2024)

AMARO: All Heavy-Atom Transferable Neural Network Potentials of Protein Thermodynamics. - Antonio Mirarchi; Raúl P. Peláez; Guillem Simeon; Gianni De Fabritiis (CoRR, 2024)

Universally Adaptable Multiscale Molecular Dynamics (UAMMD). A native-GPU software ecosystem for complex fluids, soft matter, and beyond. - Raúl P. Peláez; Pablo Ibáñez-Freire; Pablo Palacios-Alonso; Aleksandar Donev; Rafael Delgado-Buscalioni (Comput. Phys. Commun., 2025)