XU Qiang

Appointment: Senior Research Fellow (Former)

The dataverse is used for the machine learning of perovskites. It includes the feature data of perovskites and molecular dynamics simulations.

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31 to 35 of 35 Results

fig.5.tar.gz Dec 1, 2022 - Replication data for: Topological Feature Engineering for Machine Learning Based Halide Perovskite Materials Design Gzip Archive - 13.5 MB - MD5: 30e88c05b25b61718131da0218aa774c Data Data for replication and high-resolution image for Figure 5.
fig.SI.tar.gz Dec 1, 2022 - Replication data for: Topological Feature Engineering for Machine Learning Based Halide Perovskite Materials Design Gzip Archive - 20.7 MB - MD5: b24bc793eb704a234c11e755bac3d778 Data Data for replication and high-resolution images for Supplementary Figures (total of 3 figures).
HOIP_database_DRYAD.rar Dec 1, 2022 - Replication data for: Topological Feature Engineering for Machine Learning Based Halide Perovskite Materials Design RAR Archive - 4.0 MB - MD5: 46e50cda8b9f3d7b3605c8d2b90face8 Data database of perovskites for Figure 4, Figure 5, and Supplementary Figures (total of 3 figures).
MAPbX3_sc333_pdb.tar.gz Dec 1, 2022 - Replication data for: Topological Feature Engineering for Machine Learning Based Halide Perovskite Materials Design Gzip Archive - 358.2 MB - MD5: b52d92c439add93a8939a62b246ac42e Data raw data of perovskite structures for Figure 4, Figure 5, and Supplementary Figures (total of 3 figures).
md_structure.tar.gz Dec 1, 2022 - Replication data for: Topological Feature Engineering for Machine Learning Based Halide Perovskite Materials Design Gzip Archive - 26.9 MB - MD5: 86795f1af79019017e5fc50678c5eb83 Data raw data of perovskite MD structures for Figure 3.

fig.5.tar.gz

Gzip Archive - 13.5 MB -

Data

Data for replication and high-resolution image for Figure 5.

fig.SI.tar.gz

Gzip Archive - 20.7 MB -

Data

Data for replication and high-resolution images for Supplementary Figures (total of 3 figures).

HOIP_database_DRYAD.rar