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Journal Articles
- 2025
[j2]Raúl P. Peláez, Pablo Ibáñez-Freire
, Pablo Palacios-Alonso, Aleksandar Donev, Rafael Delgado-Buscalioni:
Universally Adaptable Multiscale Molecular Dynamics (UAMMD). A native-GPU software ecosystem for complex fluids, soft matter, and beyond. Comput. Phys. Commun. 306: 109363 (2025)- 2021
- [j1]Ondrej Maxian, Raúl P. Peláez, Alex Mogilner, Aleksandar Donev:
Simulations of dynamically cross-linked actin networks: Morphology, rheology, and hydrodynamic interactions. PLoS Comput. Biol. 17(12) (2021)
Informal and Other Publications
- 2024
- [i5]Raúl P. Peláez, Guillem Simeon, Raimondas Galvelis, Antonio Mirarchi, Peter K. Eastman, Stefan Doerr, Philipp Thölke, Thomas E. Markland, Gianni De Fabritiis:
TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations. CoRR abs/2402.17660 (2024) - [i4]Guillem Simeon, Antonio Mirarchi, Raúl P. Peláez, Raimondas Galvelis, Gianni De Fabritiis:
On the Inclusion of Charge and Spin States in Cartesian Tensor Neural Network Potentials. CoRR abs/2403.15073 (2024) - [i3]Antonio Mirarchi, Raúl P. Peláez, Guillem Simeon, Gianni De Fabritiis:
AMARO: All Heavy-Atom Transferable Neural Network Potentials of Protein Thermodynamics. CoRR abs/2409.17852 (2024) - 2023
- [i2]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:
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials. CoRR abs/2310.03121 (2023) - 2021
- [i1]Ondrej Maxian, Raúl P. Peláez, Leslie Greengard, Aleksandar Donev:
A fast spectral method for electrostatics in doubly-periodic slit channels. CoRR abs/2101.07088 (2021)
Coauthor Index
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