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High-throughput computational screening for solid-state Li-ion conductors
We present a computational screening of experimental structural repositories for fast Li-ion conductors, with the goal of finding new candidate materials for application as solid-state electrolytes in
DataCite Commons2026-03-12 更新190
Automated potential development workflow: Application to BaZrO3
We present a Python workflow, Automated Potential Development (APD), for automating the development of interatomic potentials, including calculation of density functional theory (DFT) fitting data, op
Mendeley Data2024-06-25 更新110
Original code
This is the original code of phase-field simulation in Ti-Al alloys
Mendeley Data2024-06-24 更新100
Code underlying the publication: Modelling ballast via a non-linear lattice to assess its compaction behaviour at railway transition zones
Source codes for the corresponding paper. The attached Matlab and Maple files are used for obtaining the results in the paper, but also demonstrate the derivations.
DataCite Commons2025-05-26 更新110
Wavefunction Polarization in a Circular Quantum Dot Using the Schrödinger–Poisson Model in COMSOL
Interaction of GaAs quantum dot with uniform magnetic field
DataCite Commons2025-08-04 更新100
