Pretrained 3D Molecular Representations Enable Data-Efficient Discovery of High-Energy-Density Fuels
Wenxi Zhai, Jinzhe Zeng, Shuwen Zhang, Zhaolin Fu et autres
0 citationsChemistry
Jinzhe Zeng
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76Publications signalées
3219Citations signalées
4Affiliations récentes
Institutions déclarées
Domaines associés
Machine Learning in Materials ScienceProtein Structure and DynamicsComputational Drug Discovery MethodsAdvanced Chemical Physics StudiesCatalysis and Oxidation Reactions
Publications récentes
Extracting a nitrile-centered, ether-assisted motif hierarchy for lithium-battery electrolyte design from billion-scale molecular space
Yifeng Xia, Guanghui Wang, Sining Wang, Wenting Chen et autres
0 citationsarXiv (Cornell University)
dpti: An Automated Thermodynamic Integration Workflow for Phase Diagram Calculations with Machine Learning Interatomic Potentials
Fengbo Yuan, Xin Zhong, Donghao Zheng, Jinzhe Zeng et autres
0 citationsarXiv (Cornell University)
dpti: An Automated Thermodynamic Integration Workflow for Phase Diagram Calculations with Machine Learning Interatomic Potentials
Fengbo Yuan, Xin Zhong, Donghao Zheng, Jinzhe Zeng et autres
0 citationsarXiv (Cornell University)
Automating Computational Chemistry Workflows via OpenClaw and Domain-Specific Skills
Mingwei Ding, C J Huang, Yu Hu, Yifan Li et autres
2 citationsJournal of Chemical Theory and Computation
Automating Computational Chemistry Workflows via OpenClaw and Domain-Specific Skills
Mingwei Ding, Chen Huang (202847), Yibo Hu, Yifan Li (327507) et autres
0 citationsFigshare
A graph neural network for the era of large atomistic models
Duo Zhang, Anyang Peng, Chun Cai, Wentao Li et autres
6 citationsnpj Computational Materials
A graph neural network for the era of large atomistic models
Duo Zhang, Anyang Peng, Chun Cai, Wentao Li et autres
3 citationsDOAJ (DOAJ: Directory of Open Access Journals)
Automating Computational Chemistry Workflows via OpenClaw and Domain-Specific Skills
Mingwei Ding, Chen Huang, Yibo Hu, Yifan Li et autres
1 citationarXiv (Cornell University)
Automating Computational Chemistry Workflows via OpenClaw and Domain-Specific Skills
Mingwei Ding, Chen Huang, Yibo Hu, Yifan Li et autres
0 citationsarXiv (Cornell University)
materialsproject/pymatgen-analysis-defects: v2026.3.20
Jimmy Shen, Nicholas Winner, Seán Kavanagh, Patrick Huck et autres
0 citationsZenodo (CERN European Organization for Nuclear Research)
lnnbig/deepmd-kit2.2.10: deepmd_v2.2.10
Jinzhe Zeng, Han Wang, Denghui Lu, Duo et autres
0 citationsZenodo (CERN European Organization for Nuclear Research)
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