Julia Westermayr

According to our database, Julia Westermayr authored at least 6 papers between 2020 and 2024.

Collaborative distances:

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

2024

Decoding energy decomposition analysis: Machine-learned Insights on the impact of the density functional on the bonding analysis.

Toni Oestereich, Ralf Tonner-Zech, Julia Westermayr

J. Comput. Chem., 2024

Parameterizing Intersecting Surfaces via Invariants.

Timon S. Gutleb, Rhyan Barrett, Julia Westermayr, Christoph Ortner

CoRR, 2024

2023

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

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

Nat. Comput. Sci., 2023

2020

Machine learning and excited-state molecular dynamics.

Julia Westermayr, Philipp Marquetand

Mach. Learn. Sci. Technol., 2020

Neural networks and kernel ridge regression for excited states dynamics of CH2NH$_2^+$: From single-state to multi-state representations and multi-property machine learning models.

Julia Westermayr, Felix A. Faber, Anders S. Christensen, O. Anatole von Lilienfeld, Philipp Marquetand

Mach. Learn. Sci. Technol., 2020

Combining SchNet and SHARC: The SchNarc machine learning approach for excited-state dynamics.

Julia Westermayr, Michael Gastegger, Philipp Marquetand

CoRR, 2020