Philipp Thölke

Publication Activity (10 Years)

Years Active: 2023-2024
Publications (10 Years): 5

Top Topics

Machine Learning

Single Molecule

Top Venues

Journal of chemical theory and computation

Nature communications

This page only lists publications with an associated author ORCID identifier.

Publications

Raul P Pelaez, Guillem Simeon, Raimondas Galvelis, Antonio Mirarchi, Peter Eastman, Stefan Doerr, Philipp Thölke, Thomas E Markland, Gianni De Fabritiis
TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations. Journal of chemical theory and computation 20 (10) (2024)
Raul P Pelaez, Guillem Simeon, Raimondas Galvelis, Antonio Mirarchi, Peter Eastman, Stefan Doerr, Philipp Thölke, Thomas E Markland, Gianni De Fabritiis
TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations. Journal of chemical theory and computation (2024)
Raul P Pelaez, Guillem Simeon, Raimondas Galvelis, Antonio Mirarchi, Peter Eastman, Stefan Doerr, Philipp Thölke, Thomas E Markland, Gianni De Fabritiis
TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations. Journal of chemical theory and computation 20 (10) (2024)
Raul P Pelaez, Guillem Simeon, Raimondas Galvelis, Antonio Mirarchi, Peter Eastman, Stefan Doerr, Philipp Thölke, Thomas E Markland, Gianni De Fabritiis
TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations. Journal of chemical theory and computation (2024)
Maciej Majewski, Adrià Pérez, Philipp Thölke, Stefan Doerr, Nicholas E Charron, Toni Giorgino, Brooke E Husic, Cecilia Clementi, Frank Noé, Gianni De Fabritiis
Machine learning coarse-grained potentials of protein thermodynamics. Nature communications 14 (1) (2023)