Simon Wengert

Mapping Materials and Molecules

Bingqing Cheng, Ryan‐Rhys Griffiths, Simon Wengert et al. · Accounts of Chemical Research · 2020 · 144 citations · Full text

Natural Sciences, Chemistry, Materials Science +11

Data-efficient machine learning for molecular crystal structure prediction

Simon Wengert, Gábor Cśanyi, Karsten Reuter et al. · Chemical Science · 2021 · 119 citations · Full text

Natural Sciences, Chemistry, Materials Science +15

Nano‐Scale Complexions Facilitate Li Dendrite‐Free Operation in LATP Solid‐State Electrolyte

Sina Stegmaier, Roland Schierholz, Ivan Povstugar et al. · Advanced Energy Materials · 2021 · 78 citations · Full text

Natural Sciences, Materials Engineering, Materials Science +17

Kernel charge equilibration: efficient and accurate prediction of molecular dipole moments with a machine-learning enhanced electron density model

Carsten G. Staacke, Simon Wengert, Christian Künkel et al. · Machine Learning Science and Technology · 2022 · 42 citations · Full text

Natural Sciences, Chemistry, Computer Science +15

A Hybrid Machine Learning Approach for Structure Stability Prediction in Molecular Co-crystal Screenings

Simon Wengert, Gábor Cśanyi, Karsten Reuter et al. · Journal of Chemical Theory and Computation · 2022 · 39 citations · Full text

Natural Sciences, Chemistry, Materials Science +17