Publications of Sina Stocker

All genres

Journal Article (3)

2023

Journal Article

Jung, Hyunwook, Lena Sauerland, Sina Stocker, Karsten Reuter and Johannes Margraf: Machine-learning driven global optimization of surface adsorbate geometries.

MPG.PuRe

DOI

publisher-version

Journal Article

Stocker, Sina, Hyunwook Jung, Gábor Csányi, Claude Franklin Goldsmith, Karsten Reuter and Johannes Margraf: Estimating Free Energy Barriers for Heterogeneous Catalytic Reactions with Machine Learning Potentials and Umbrella Integration.

MPG.PuRe

DOI

publisher-version

2022

Journal Article

Stocker, Sina, Johannes Gasteiger, Florian Becker, Stephan Günnemann and Johannes Margraf: How robust are modern graph neural network potentials in long and hot molecular dynamics simulations?

MPG.PuRe

DOI

Full

publisher-version

Thesis - PhD (1)

2022

Thesis - PhD

Stocker, Sina: Transferability in chemical machine learning.

MPG.PuRe

Full