Publikationen von Simon Wengert
Alle Typen
Zeitschriftenartikel (5)
1.
Zeitschriftenartikel
9 (93), 5668 (2024)
matscipy: materials science at the atomic scale with Python. The Journal of Open Source Software (JOSS) 2.
Zeitschriftenartikel
159 (12), 124801 (2023)
wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows. The Journal of Chemical Physics 3.
Zeitschriftenartikel
18 (7), S. 4586 - 4593 (2022)
A Hybrid Machine Learning Approach for Structure Stability Prediction in Molecular Co-crystal Screenings. Journal of Chemical Theory and Computation 4.
Zeitschriftenartikel
3 (1), 015032 (2022)
Kernel charge equilibration: efficient and accurate prediction of molecular dipole moments with a machine-learning enhanced electron density model. Machine Learning: Science and Technology 5.
Zeitschriftenartikel
11 (26), 2100707 (2021)
Nano-Scale Complexions Facilitate Li Dendrite-Free Operation in LATP Solid-State Electrolyte. Advanced Energy Materials Buchkapitel (1)
6.
Buchkapitel
Accelerating molecular materials discovery with machine-learning. In: High-Performance Computing and Data Science in the Max Planck Society, S. 40 - 41. Max Planck Computing and Data Facility, Garching (2021)
Hochschulschrift - Doktorarbeit (1)
7.
Hochschulschrift - Doktorarbeit
Kernel-based machine learning for molecular crystal structure prediction. Dissertation, Technische Universität, München (2022)