Lisanne Knijff

Modelling Bulk Electrolytes and Electrolyte Interfaces with Atomistic Machine Learning

Yunqi Shao, Lisanne Knijff, Florian M. Dietrich et al. · Batteries & Supercaps · 2020 · 62 citations · Full text

Engineering, Electrode-electrolyte Interface, Material Simulation +18

Finite-field coupling via learning the charge response kernel

Yunqi Shao, Linnéa Andersson, Lisanne Knijff et al. · Electronic Structure · 2022 · 23 citations · Full text

Engineering, Machine Learning, Computational Chemistry +19

Reversible Hydration Enabling High-Rate Aqueous Li-Ion Batteries

Leiting Zhang, Franziska Kühling, Agnes-Matilda Mattsson et al. · ACS Energy Letters · 2024 · 23 citations · Full text

PiNNwall: Heterogeneous Electrode Models from Integrating Machine Learning and Atomistic Simulation

Thomas Dufils, Lisanne Knijff, Yunqi Shao et al. · Journal of Chemical Theory and Computation · 2023 · 20 citations · Full text

Engineering, Material Simulation, Computational Chemistry +21