Lisanne Knijff

PiNN: Equivariant Neural Network Suite for Modeling Electrochemical Systems

Li, Jichen; Knijff, Lisanne; Zhang, Zhan-Yun; Andersson, Linnéa et al.

Part of Journal of Chemical Theory and Computation, p. 1382-1395, 2025

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Dipole and Charge Prediction for Electrochemical Systems from Atomistic Machine Learning

Knijff, Lisanne

2025

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Modeling of Nanomaterials for Supercapacitors: Beyond Carbon Electrodes

Bi, Sheng; Knijff, Lisanne; Lian, Xiliang; van Hees, Alicia et al.

Part of ACS Nano, p. 19931-19949, 2024

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PiNN: equivariant neural network suite for modelling electrochemical systems

Li, Jichen; Knijff, Lisanne; Zhang, Zhan-Yun; Andersson, Linnéa et al.

2024

• DOI for PiNN: equivariant neural network suite for modelling electrochemical systems

Reversible Hydration Enabling High-Rate Aqueous Li-Ion Batteries

Zhang, Leiting; Kühling, Franziska; Mattsson, Agnes-Matilda; Knijff, Lisanne et al.

Part of ACS Energy Letters, p. 959-966, 2024

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PiNN: Equivariant Neural Network Suite for Modeling Electrochemical Systems

Li, Jichen; Knijff, Lisanne; Zhang, Zhan-Yun; Andersson, Linnéa et al.

Part of Journal of Chemical Theory and Computation, p. 1382-1395, 2025

• DOI for PiNN: Equivariant Neural Network Suite for Modeling Electrochemical Systems
• Download full text (pdf) of PiNN: Equivariant Neural Network Suite for Modeling Electrochemical Systems

PiNN: equivariant neural network suite for modelling electrochemical systems

Li, Jichen; Knijff, Lisanne; Zhang, Zhan-Yun; Andersson, Linnéa et al.

2024

• DOI for PiNN: equivariant neural network suite for modelling electrochemical systems

Reversible Hydration Enabling High-Rate Aqueous Li-Ion Batteries

Zhang, Leiting; Kühling, Franziska; Mattsson, Agnes-Matilda; Knijff, Lisanne et al.

Part of ACS Energy Letters, p. 959-966, 2024

• DOI for Reversible Hydration Enabling High-Rate Aqueous Li-Ion Batteries
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PiNNwall: Heterogeneous Electrode Models from Integrating Machine Learning and Atomistic Simulation

Dufils, Thomas; Knijff, Lisanne; Shao, Yunqi; Zhang, Chao

Part of Journal of Chemical Theory and Computation, p. 5199-5209, 2023

• DOI for PiNNwall: Heterogeneous Electrode Models from Integrating Machine Learning and Atomistic Simulation
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Finite-field coupling via learning the charge response kernel

Shao, Yunqi; Andersson, Linnéa; Knijff, Lisanne; Zhang, Chao

Part of Electronic Structure, 2022

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Machine learning inference of molecular dipole moment in liquid water

Knijff, Lisanne; Zhang, Chao

Part of Machine Learning, 2021

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PiNN: A Python Library for Building Atomic Neural Networks of Molecules and Materials

Shao, Yunqi; Hellström, Matti; Mitev, Pavlin D.; Knijff, Lisanne et al.

Part of Journal of Chemical Information and Modeling, p. 1184-1193, 2020

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Modeling of Nanomaterials for Supercapacitors: Beyond Carbon Electrodes

Bi, Sheng; Knijff, Lisanne; Lian, Xiliang; van Hees, Alicia et al.

Part of ACS Nano, p. 19931-19949, 2024

• DOI for Modeling of Nanomaterials for Supercapacitors: Beyond Carbon Electrodes
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Modelling Bulk Electrolytes and Electrolyte Interfaces with Atomistic Machine Learning

Shao, Yunqi; Knijff, Lisanne; Dietrich, Florian M.; Hermansson, Kersti et al.

Part of Batteries & Supercaps, p. 585-595, 2021

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Dipole and Charge Prediction for Electrochemical Systems from Atomistic Machine Learning

Knijff, Lisanne

2025

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