Raúl P. Peláez

Publication Activity (10 Years)

Years Active: 2023-2024
Publications (10 Years): 3

Top Topics

Molecular Dynamics

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Top Venues

Publications

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 (2024)
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 (2024)
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 (2023)