Jichen Li

MolPy: A Large Language Model-Friendly Toolkit for Reactive Topology Editing in Polymer Simulations

Li, Jichen; Schwarz, Fabian; Guo, Wentao; Sun, Ge et al.

Part of Journal of Chemical Information and Modeling, p. 7562-7572, 2026

• DOI for MolPy: A Large Language Model-Friendly Toolkit for Reactive Topology Editing in Polymer Simulations
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AI-Accelerated Design and Modeling of Organic Electrochemical Energy Materials: From Redox-Active Molecules to Polymer Electrolytes

Zhang, Zhan-Yun; Savvas, Giannis; Li, Jichen; Zhou, Yue et al.

Part of Macromolecular materials and engineering, 2026

• DOI for AI-Accelerated Design and Modeling of Organic Electrochemical Energy Materials: From Redox-Active Molecules to Polymer Electrolytes
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PiNN: equivariant neural network suite for modelling 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 modelling electrochemical systems
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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

MolPy: A Large Language Model-Friendly Toolkit for Reactive Topology Editing in Polymer Simulations

Li, Jichen; Schwarz, Fabian; Guo, Wentao; Sun, Ge et al.

Part of Journal of Chemical Information and Modeling, p. 7562-7572, 2026

• DOI for MolPy: A Large Language Model-Friendly Toolkit for Reactive Topology Editing in Polymer Simulations
• Download full text (pdf) of MolPy: A Large Language Model-Friendly Toolkit for Reactive Topology Editing in Polymer Simulations

PiNN: equivariant neural network suite for modelling 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 modelling electrochemical systems
• Download full text (pdf) of PiNN: equivariant neural network suite for modelling electrochemical systems

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

AI-Accelerated Design and Modeling of Organic Electrochemical Energy Materials: From Redox-Active Molecules to Polymer Electrolytes

Zhang, Zhan-Yun; Savvas, Giannis; Li, Jichen; Zhou, Yue et al.

Part of Macromolecular materials and engineering, 2026

• DOI for AI-Accelerated Design and Modeling of Organic Electrochemical Energy Materials: From Redox-Active Molecules to Polymer Electrolytes
• Download full text (pdf) of AI-Accelerated Design and Modeling of Organic Electrochemical Energy Materials: From Redox-Active Molecules to Polymer Electrolytes