Raúl P. Peláez

According to our database, Raúl P. Peláez authored at least 7 papers between 2021 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2025

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

2024

AMARO: All Heavy-Atom Transferable Neural Network Potentials of Protein Thermodynamics.

Antonio Mirarchi, Raúl P. Peláez, Guillem Simeon, 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

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

2023

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, Andreas Krämer, Julien Michel, Joshua A. Mitchell, Vijay S. Pande, João P. G. L. M. Rodrigues, Jaime Rodríguez-Guerra, Andrew C. Simmonett, Jason M. Swails, Ivy Zhang, John D. Chodera, Gianni De Fabritiis, Thomas E. Markland

CoRR, 2023

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

A fast spectral method for electrostatics in doubly-periodic slit channels.

Ondrej Maxian, Raúl P. Peláez, Leslie Greengard, Aleksandar Donev

CoRR, 2021