Dongqi Wang

20PUBLICATIONS
22CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsChemical thermodynamics and energeticsOrganometallic chemistryNuclear engineering (incl. fuel enrichment and waste processing and storage)Electrical circuits and systems
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Publications (20)

|Feb 07, 2026
Molecular Representation Matters: Comparative Evaluation of Fingerprints, RDKit Descriptors, and Hashing Effects.

Shijia Zhou, Junqing Li, Ziyi Liu

|Dec 17, 2025
A Force Field Model for Actinyl Cations AnO22+ and AnO2+ (An = U, Np, Pu) Comparable with the AMOEBA Polarizable Force Field.

Miaoren Xia, Ziyi Liu, Qin Wang

|Oct 22, 2025
Revealing an Unexpected Chemical Reactivity of Boron Nitride to H2O and Alkane Molecules.

Jie Fan, Wen-Cui Li, Yifan Zhang

|May 08, 2025
Prediction of Actinide-Ligand Complex Stability Constants by Machine Learning.

Junhong Li, Junqing Li, Ziyi Liu

|Aug 26, 2024
In Situ Formation of B═O Bond in Oxidative Dehydrogenation of Propane and as a Hunter for Alkoxyl Radicals: A Computational Study.

Weixi Chen, Yuchen Liu, Ziyi Liu

|Jul 25, 2024
A Connected Convolutional Neutral Network Protocol for Design of Two-Dimensional Materials Based on Modified Graphdiyne.

Junqing Li, Ziyi Liu, Zhehuan Zhao

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Frequent Collaborators

14 joint publications

Ziyi Liu

5 joint publications

An-Hui Lu

3 joint publications

Junqing Li

2 joint publications

Wen-Cui Li