Publications of Simon Wengert

Journal Article (5)

2024
Journal Article
Grigorev, Petr, Lucas Frérot, Fraser Birks, Adrien Gola, Jacek Golebiowski, Jan Grießer, Johannes L. Hörmann, Andreas Klemenz, Gianpietro Moras, Wolfram G. Nöhring, Jonas A. Oldenstaedt, Punit Patel, Thomas Reichenbach, Lakshmi Shenoy, Michael Walter, Simon Wengert, James R. Kermode and Lars Pastewka: matscipy: materials science at the atomic scale with Python.
2023
Journal Article
Gelžinytė, Elena, Simon Wengert, Tamás K. Stenczel, Hendrik Heenen, Karsten Reuter, Gábor Csányi and Noam Bernstein: wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows.
2022
Journal Article
Staacke, Carsten, Simon Wengert, Christian Kunkel, Gábor Csányi, 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, Gábor Csányi, Karsten Reuter and Johannes Margraf: A Hybrid Machine Learning Approach for Structure Stability Prediction in Molecular Co-crystal Screenings.
2021
Journal Article
Stegmaier, Sina, Roland Schierholz, Ivan Povstugar, Juri Barthel, Simon P. Rittmeyer, Shicheng Yu, Simon Wengert, Samare Rostami, Hans Kungl, Karsten Reuter, Rüdiger-A. Eichel 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.
Go to Editor View