Frank Noé

42PUBLICATIONS
187CO-AUTHORS
Chemical and thermal processes in energy and combustionComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Microelectromechanical systems (MEMS)Gene expression (incl. microarray and other genome-wide approaches)Computational chemistry
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Publications (42)

|Jun 04, 2026
Scalable Boltzmann generators for equilibrium sampling of large-scale materials.

|May 12, 2026
Assessing generative modeling approaches for free energy estimates in condensed matter.

|Mar 16, 2026
Learning data-efficient coarse-grained molecular dynamics from forces and noise.

Aleksander E P Durumeric, Yaoyi Chen, Aldo S Pasos-Trejo

|Feb 18, 2026
Extending the range of graph neural networks with global encodings.

Alessandro Caruso, Jacopo Venturin, Lorenzo Giambagli

|Sep 09, 2025
Operator forces for coarse-grained molecular dynamics.

Leon Klein, Atharva Kelkar, Aleksander Durumeric

|Aug 27, 2025
Partitioning the electronic wave function using deep variational Monte Carlo.

Matěj Mezera, Paolo A Erdman, Zeno Schätzle

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Frequent Collaborators

10 joint publications

Cecilia Clementi

5 joint publications

Zeno Schätzle

5 joint publications

Simon Olsson

5 joint publications

Tim Hempel