Reinhard Johann Maurer

According to our database, Reinhard Johann Maurer authored at least 6 papers between 2010 and 2025.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2025

Machine learning configuration-dependent friction tensors in Langevin heatbaths.

Matthias Sachs, Wojciech G. Stark, Reinhard Johann Maurer, Christoph Ortner

Mach. Learn. Sci. Technol., 2025

Structural Bias in Three-Dimensional Autoregressive Generative Machine Learning of Organic Molecules.

Zsuzsanna Koczor-Benda, Joe Gilkes, Francesco Bartucca, Abdulla Al-Fekaiki, Reinhard Johann Maurer

J. Chem. Inf. Model., 2025

2024

Benchmarking of machine learning interatomic potentials for reactive hydrogen dynamics at metal surfaces.

Wojciech G. Stark, Cas van der Oord, Ilyes Batatia, Yaolong Zhang, Bin Jiang, Gábor Csányi, Reinhard Johann Maurer

Mach. Learn. Sci. Technol., 2024

2023

Atomic Simulation Interface (ASI): application programming interface for electronic structure codes.

Pavel V. Stishenko, Thomas W. Keal, Scott M. Woodley, Volker Blum, Benjamin Hourahine, Reinhard Johann Maurer, Andrew J. Logsdail

J. Open Source Softw., June, 2023

High-throughput property-driven generative design of functional organic molecules.

Julia Westermayr, Joe Gilkes, Rhyan Barrett, Reinhard Johann Maurer

Nat. Comput. Sci., 2023

2010

Molecular dynamics of cellulose crystal surfaces with ChemShell.

Reinhard Johann Maurer, Alexander F. Sax

Proceedings of the International Conference on Computational Science, 2010