Elena Gelžinytė

5PUBLICATIONS
45CO-AUTHORS
Nonlinear optics and spectroscopyProcedural content generationBiomolecular modelling and designEvolutionary computationCheminformatics and quantitative structure-activity relationships
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Publications (5)

|Jan 10, 2026
Spectral Tuning of Hyperbolic Shear Polaritons in Monoclinic Gallium Oxide via Isotopic Substitution.

Giulia Carini, Mohit Pradhan, Elena Gelžinytė

|Dec 21, 2023
wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows.

Elena Gelžinytė, Simon Wengert, Tamás K Stenczel

|Dec 18, 2023
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules.

Elena Gelžinytė, Mario Öeren, Matthew D Segall

|Oct 23, 2023
ACEpotentials.jl: A Julia implementation of the atomic cluster expansion.

William C Witt, Cas van der Oord, Elena Gelžinytė

|Jun 14, 2021
Neural network activation similarity: a new measure to assist decision making in chemical toxicology.

Timothy E H Allen, Andrew J Wedlake, Elena Gelžinytė

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Frequent Collaborators

3 joint publications

Gábor Csányi

2 joint publications

Karsten Reuter

2 joint publications

Noam Bernstein

1 joint publications

Timothy E H Allen