Zhan-Yun Zhang

Machine Learning with Physically Inspired Descriptors to Predict Solvation Free Energies of Neutral and Ionic Solutes in Aqueous and Nonaqueous Solvents

Jia, Luyang; Zhang, Zhan-Yun; Shen, Lin; Fang, Wei-Hai

Part of Journal of Physical Chemistry B, p. 7216-7227, 2025

• DOI for Machine Learning with Physically Inspired Descriptors to Predict Solvation Free Energies of Neutral and Ionic Solutes in Aqueous and Nonaqueous Solvents

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

Machine Learning with Physically Inspired Descriptors to Predict Solvation Free Energies of Neutral and Ionic Solutes in Aqueous and Nonaqueous Solvents

Jia, Luyang; Zhang, Zhan-Yun; Shen, Lin; Fang, Wei-Hai

Part of Journal of Physical Chemistry B, p. 7216-7227, 2025

• DOI for Machine Learning with Physically Inspired Descriptors to Predict Solvation Free Energies of Neutral and Ionic Solutes in Aqueous and Nonaqueous Solvents

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