Elena Gelžinytė - Publications, H-index & Citations

Elena Gelžinytė

Max Planck Society

6H指数

18论文数

182被引数

收录论文 6

发表时间

Spectral Tuning of Hyperbolic Shear Polaritons in Monoclinic Gallium Oxide via Isotopic Substitution

ADVANCED MATERIALS

IF26.8

2026-01-01

OAAI

Carini, Giulia; Pradhan, Mohit; Gelzinyte, Elena; Ardenghi, Andrea; Dixit, Saurabh; Obst, Maximilian; Senarath, Aditha S.; Mueller, Niclas S.; Alvarez-perez, Gonzalo; Diaz-granados, Katja; Kowalski, Ryan A.; Niemann, Richarda; Kaps, Felix G.; Wetzel, Jakob; Iyer, Raghunandan Balasubramanyam; Mazzolini, Piero; Schubert, Mathias; Klopf, J. Michael; Margraf, Johannes T.; Bierwagen, Oliver; Wolf, Martin; Reuter, Karsten; Eng, Lukas M.; Kehr, Susanne C.; Caldwell, Joshua D.; Carbogno, Christian; Folland, Thomas G.; Wagner, Markus R.; Paarmann, Alexander

Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules 可转移机器学习原子间势预测类药物分子的键离解能

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-12-18

OAAI

Gelzinyte, Elena; Oeren, Mario; Segall, Matthew D.; Csanyi, Gabor

ACEpotentials.jl: A Julia implementation of the atomic cluster expansion Aceat势.jl: 原子簇扩展的Julia实现

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-10-23

OAAI

Witt, William C.; van der Oord, Cas; Gelzinyte, Elena; Jarvinen, Teemu; Ross, Andres; Darby, James P.; Ho, Cheuk Hin; Baldwin, William J.; Sachs, Matthias; Kermode, James; Bernstein, Noam; Csanyi, Gabor; Ortner, Christoph

wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-09-28

OAAI

Gelzinyte, Elena; Wengert, Simon; Stenczel, Tamas K.; Heenen, Hendrik H.; Reuter, Karsten; Csanyi, Gabor; Bernstein, Noam

Neural network activation similarity: a new measure to assist decision making in chemical toxicology

CHEMICAL SCIENCE

IF7.4

2020-01-01

OAAI

Allen, Timothy E. H.; Wedlake, Andrew J.; Gelzinyte, Elena; Gong, Charles; Goodman, Jonathan M.; Gutsell, Steve; Russell, Paul J.