Julia Westermayr - Concepedia

Author

Julia Westermayr

University of Warwick ORCID

Also Known As

J Westermayr, Julia Westermayr, Westermayr, Julia

Publications

849

Citations

H-Index

Concepts

All Affiliations

University of Warwick University of Vienna Leipzig University Technische Universität Berlin Lawrence Berkeley National Laboratory

About

Julia Westermayr is an author at University of Warwick specializing in engineering, computational chemistry, and computer science.

Top Concepts

#	Concept	H-Index	Publications	Citations
1	Engineering	5	5	560
2	Natural Sciences	3	3	280
3	Chemistry	3	3	280
4	Applied Physics	2	2	216
5	Health Sciences	1	1	54

Julia Westermayr

Publications

796

Citations

H-Index

Page 1

	Year	Citations
Combining SchNet and SHARC: The SchNarc Machine Learning Approach for Excited-State Dynamics Julia Westermayr, Michael Gastegger, Philipp Marquetand The Journal of Physical Chemistry Letters Quantum DynamicEngineeringMachine LearningComputational ChemistryChemistry	2020	201
Roadmap on Machine learning in electronic structure Heather J. Kulik, Thomas Hammerschmidt, Jonathan Schmidt, Electronic Structure Artificial IntelligenceMaterials ScienceEngineeringMachine LearningComputational Learning Theory	2022	175
A practical guide to machine learning interatomic potentials – Status and future Ryan Jacobs, Dane Morgan, Siamak Attarian, Current Opinion in Solid State and Materials Science EngineeringMachine LearningData SciencePhysic Aware Machine LearningMachine Learning Tool	2025	105
High-throughput property-driven generative design of functional organic molecules Julia Westermayr, Joe Gilkes, Rhyan Barrett, Nature Computational Science	2023	69
Deep learning study of tyrosine reveals that roaming can lead to photodamage Julia Westermayr, Michael Gastegger, Dóra Vörös, Nature Chemistry PhotochemistryDeep Learning StudyPhotodynamic TherapyPhototoxicityMolecular Biology	2022	54
BuRNN: Buffer Region Neural Network Approach for Polarizable-Embedding Neural Network/Molecular Mechanics Simulations Bettina Lier, Peter Poliak, Philipp Marquetand, The Journal of Physical Chemistry Letters EngineeringComputational ChemistryChemistryBuffer RegionMolecular Dynamics	2022	41
Machine Learning Interatomic Potentials for Reactive Hydrogen Dynamics at Metal Surfaces Based on Iterative Refinement of Reaction Probabilities Wojciech G. Stark, Julia Westermayr, Oscar A. Douglas‐Gallardo, The Journal of Physical Chemistry C EngineeringMachine LearningMachine Learning ToolComputational ChemistryChemistry	2023	38
Long-range dispersion-inclusive machine learning potentials for structure search and optimization of hybrid organic–inorganic interfaces Julia Westermayr, Shayantan Chaudhuri, Andreas Jeindl, Digital Discovery	2022	32
NQCDynamics.jl: A Julia Package for Nonadiabatic Quantum Classical\n Molecular Dynamics in the Condensed Phase James Gardner, Oscar A. Douglas‐Gallardo, Wojciech G. Stark, arXiv (Cornell University)	2022	21
Tridentate 3-Substituted Naphthoquinone Ruthenium Arene Complexes: Synthesis, Characterization, Aqueous Behavior, and Theoretical and Biological Studies Heiko Geisler, Julia Westermayr, Klaudia Cseh, Inorganic Chemistry	2021	16

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