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Raúl P. Peláez
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2020 – today
- 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) - 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
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials. CoRR abs/2310.03121 (2023) - 2021
- [j1]Ondrej Maxian
Simulations of dynamically cross-linked actin networks: Morphology, rheology, and hydrodynamic interactions. PLoS Comput. Biol. 17(12) (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)
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