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Raúl P. Peláez
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5
AMARO: All Heavy-Atom Transferable Neural Network Potentials of Protein Thermodynamics
11 November 2024 by
Antonio Mirarchi
and
others
Biomolecules
,
Machine Learning
TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations
23 May 2024 by
Raúl Peláez
and
others
at
Universitat Pompeu Fabra
Machine Learning
,
Biological Physics
On the Inclusion of Charge and Spin States in Cartesian Tensor Neural Network Potentials
22 March 2024 by
Guillem Simeon
and
others
Machine Learning
,
Chemical Physics
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials
29 November 2023 by
Peter Eastman
and
others
at
Stanford University
Chemical Physics
,
Machine Learning
Computing hydrodynamic interactions in confined doubly-periodic geometries in linear time
2 January 2023 by
Aref Hashemi
and
others
Computational Physics
A fast spectral method for electrostatics in doubly-periodic slit channels
3 June 2021 by
Ondrej Maxian
and
others
Numerical Analysis
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Machine Learning
Chemical Physics
Computational Physics
Numerical Analysis
Biological Physics