Publications of Simon Wengert
All genres
Journal Article (5)
2024
Journal Article
Simon Wengert, and : , , , , , , , , , , , , , , , matscipy: materials science at the atomic scale with Python.
2023
Journal Article
Simon Wengert, , Hendrik Heenen, Karsten Reuter, and : , wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows.
2022
Journal Article
Staacke, Carsten, Simon Wengert, Christian Kunkel, , Karsten Reuter and Johannes Margraf: Kernel charge equilibration: efficient and accurate prediction of molecular dipole moments with a machine-learning enhanced electron density model.
Journal Article
Wengert, Simon, , Karsten Reuter and Johannes Margraf: A Hybrid Machine Learning Approach for Structure Stability Prediction in Molecular Co-crystal Screenings.
2021
Journal Article
Simon Wengert, , , Karsten Reuter, and Christoph Scheurer: , , , , , , Nano-Scale Complexions Facilitate Li Dendrite-Free Operation in LATP Solid-State Electrolyte.
Book Chapter (1)
2021
Book Chapter
Wengert, Simon, Christian Kunkel, Johannes Margraf and Karsten Reuter: Accelerating molecular materials discovery with machine-learning.
Thesis - PhD (1)
2022
Thesis - PhD
Wengert, Simon: Kernel-based machine learning for molecular crystal structure prediction.