Yanqiang Han

发表

Potential inhibitors for the novel coronavirus (SARS-CoV-2)

Jinjin Li, Jiahao Ren, Zhilong Wang, 2020, Briefings Bioinform..

Three‐Dimensionally Scaffolded Hydrogel@Sulfur Composite as a Binder‐Free Polysulfides‐Adsorptive Cathode for High‐Performance Lithium‐Sulfur Batteries

Jinyun Liu, Huigang Zhang, Zihan Shen, 2019, Energy Technology.

Accelerated Mining of 2D Van der Waals Heterojunctions by Integrating Supervised and Unsupervised Learning

Xu Zhang, Jinjin Li, Letian Chen, 2022, Chemistry of Materials.

Machine learning builds full-QM precision protein force fields in seconds.

Jinyun Liu, Jinjin Li, Zhilong Wang, 2021, Briefings in bioinformatics.

Rapid discovery of inorganic-organic solid composite electrolytes by unsupervised learning

Zhilong Wang, Yanqiang Han, Kehao Tao, 2022, Chemical Engineering Journal.

Ab Initio Prediction of the Phase Transition for Solid Ammonia at High Pressures

Jinyun Liu, Jinjin Li, Xiao He, 2020, Scientific Reports.

Ab initio-enabled phase transition prediction of solid carbon dioxide at ultra-high temperatures

Jinjin Li, Xiao He, Xiao He, 2019, RSC advances.

An ensemble learning classifier to discover arsenene catalysts with implanted heteroatoms for hydrogen evolution reaction

Jinjin Li, Zhilong Wang, Yanqiang Han, 2022, Journal of Energy Chemistry.

Quantum Mechanical-Based Stability Evaluation of Crystal Structures for HIV-Targeted Drug Cabotegravir

Jinyun Liu, Jinjin Li, Zhiyun Wei, 2021, Molecules.

Phase Transitions and Stabilities among Three Phases of Di-p-tolyl Disulfides

Jinjin Li, Yanqiang Han, Imran Ali, 2022, Molecules.

Machine learning accelerates quantum mechanics predictions of molecular crystals

Jinjin Li, Jiahao Ren, Zhilong Wang, 2021, Physics Reports.

Polymer Composites Containing Phase‐Change Microcapsules Displaying Deep Undercooling Exhibit Thermal History‐Dependent Mechanical Properties

Jinyun Liu, P. Braun, T. Si, 2020, Advanced Materials Technologies.

A Machine Learning Shortcut for Screening the Spinel Structures of Mg/Zn Ion Battery Cathodes with a High Conductivity and Rapid Ion Kinetics

Jinjin Li, Zhilong Wang, Yanqiang Han, 2021 .

Ab initio determination of crystal stability of di-p-tolyl disulfide

Jinyun Liu, Jinjin Li, Xiao He, 2021, Scientific Reports.

Combining the Fragmentation Approach and Neural Network Potential Energy Surfaces of Fragments for Accurate Calculation of Protein Energy.

Zhilong Wang, Xiao He, Yanqiang Han, 2020, The journal of physical chemistry. B.

Crystal Structure Optimization and Gibbs Free Energy Comparison of Five Sulfathiazole Polymorphs by the Embedded Fragment QM Method at the DFT Level

Jinyun Liu, Jinjin Li, Xiao He, 2019, Crystals.

Predicting the phase diagram of solid carbon dioxide at high pressure from first principles

Jinjin Li, Jinfeng Liu, Yanqiang Han, 2019, npj Quantum Materials.

Predicting the phase diagram of solid carbon dioxide at high pressure from first principles

Jinjin Li, Xiao He, Jinfeng Liu, 2019, npj Quantum Materials.

Ab initio investigation of solid carbon monoxide phase diagram at low temperature

Jinyun Liu, Jinjin Li, Yanqiang Han, 2021 .

Stability and phase transition investigation of olanzapine polymorphs

Jinjin Li, A. Nowak, Hongyuan Luo, 2021 .

Ab initio phase transition prediction for ices XV/XIV/VIII at high pressures and low temperatures

Jinyun Liu, Jinjin Li, Rui Xiao, 2020 .

Binding affinity and mechanisms of SARS-CoV-2 variants

Jinjin Li, I. Schapiro, Zhilong Wang, 2021, Computational and Structural Biotechnology Journal.

Vision for energy material design: a roadmap for integrated data-driven modeling

Jinjin Li, Zhilong Wang, Yanqiang Han, 2022, Journal of Energy Chemistry.

An Ensemble Learning Platform for the Large-Scale Exploration of New Double Perovskites.

Jinjin Li, Xirong Lin, Zhilong Wang, 2021, ACS applied materials & interfaces.

DeepTMC: A Deep Learning Platform to Targeted Design Doped Transition Metal Compounds

Jinjin Li, Zhilong Wang, Yanqiang Han, 2021, Energy Storage Materials.

IonML: a physically inspired machine learning platform to directed design superionic conductors

Zhilong Wang, Yanqiang Han, An Chen, 2023, Energy Storage Materials.

An end‐to‐end artificial intelligence platform enables real‐time assessment of superionic conductors

Jinjin Li, Zhilong Wang, Yanqiang Han, 2023, SmartMat.

Harnessing artificial intelligence to holistic design and identification for solid electrolytes

Jinjin Li, Xirong Lin, Zhilong Wang, 2021 .

AlphaMat: a material informatics hub connecting data, features, models and applications

Jinjin Li, Jing Gao, Zhilong Wang, 2023, npj Computational Materials.

Deep learning for ultra-fast and high precision screening of energy materials

Huan Zhao, Jinjin Li, Zhilong Wang, 2021 .

Machine-learning-assisted rational design of 2D doped tellurene for fin field-effect transistor devices

Jinjin Li, Zhilong Wang, Yanqiang Han, 2023, Patterns.

Binding Affinity and Mechanisms of Potential Antidepressants Targeting Human NMDA Receptors

Zhiyun Wei, Yanqiang Han, Simin Ye, 2023, Molecules.

Single atom modified two-dimensional bismuthenes for toxic gas detection.

Jinjin Li, Zhilong Wang, Yanqiang Han, 2023, Physical chemistry chemical physics : PCCP.

A Data-Driven Platform for Two-Dimensional Hybrid Lead-Halide Perovskites.

Jinjin Li, Zhilong Wang, Yanqiang Han, 2023, ACS nano.

A Solid-Solid Phase Transformation of Triclabendazole at High Pressures

Zhiyun Wei, Jinjin Li, Yanqiang Han, 2022, Crystals.

Molecular structure determination of solid carbon dioxide phase IV at high pressures and temperatures based on Møller‐Plesset perturbation theory

Jinyun Liu, Jinjin Li, Yanqiang Han, 2020 .

CEEM: a Chemically Explainable Deep Learning Platform for Identifying Compounds with Low Effective Mass.

Zhilong Wang, Yanqiang Han, Jing Gao, 2023, Small.

Unlocking Potential of Pyrochlore in Energy Systems via Soft Voting Ensemble Learning.

Zhilong Wang, Yanqiang Han, An Chen, 2024, Small.