Frank Noé

6 articles listing Frank Noé in Nature Communications, Science, indexed by Paperzzz from Crossref and OSF.

1. An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Nature Communications
2. Scalable Boltzmann generators for equilibrium sampling of large-scale materials Nature Communications
3. Learning data-efficient coarse-grained molecular dynamics from forces and noise Nature Communications
4. Extending the range of graph neural networks with global encodings Nature Communications
5. Simulations and active learning enable efficient identification of an experimentally-validated broad coronavirus inhibitor Nature Communications
6. Scalable emulation of protein equilibrium ensembles with generative deep learning Science