Julia Westermayr

21PUBLICATIONS
63CO-AUTHORS
Chemical engineering designData structures and algorithmsNonlinear optics and spectroscopyChemical and thermal processes in energy and combustionQuantum computation
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Publications (21)

|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

|May 12, 2025
Excited-state nonadiabatic dynamics in explicit solvent using machine learned interatomic potentials.

Maximilian X Tiefenbacher, Brigitta Bachmair, Cheng Giuseppe Chen

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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