Julia Westermayr

22PUBLICATIONS
63CO-AUTHORS
Supramolecular chemistryChemical engineering designData structures and algorithmsNonlinear optics and spectroscopyChemical and thermal processes in energy and combustion
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Publications (22)

|Oct 13, 2026
Hierarchical generative modeling for the design of multi-component systems.

|May 20, 2026
Machine learning for smell: ordinal odor strength prediction of molecular perfumery components.

|Feb 13, 2026
Practical integration of machine learning into ab initio calculations and workflows: Accelerating the SCF cycle via density matrix predictions.

Pavel Stishenko, Chen Qian, Julia Westermayr

|Nov 10, 2025
Machine learning spectroscopy to advance computation and analysis.

Julia Westermayr, P Marquetand

|Oct 01, 2025
Photochemical deracemization of 2,3-allenoic acids mediated by a sensitizing chiral phosphoric acid catalyst.

Max Stierle, Daniel Bitterlich, Julia Westermayr

|Jul 08, 2025
COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin-Orbit Couplings and Dynamics.

Felix Plasser, Hans Lischka, Ron Shepard

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Frequent Collaborators

8 joint publications

Philipp Marquetand

6 joint publications

Reinhard J Maurer

4 joint publications

Leticia González

2 joint publications

Michael Gastegger