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Journal of Chemical Theory and Computation | ResearchHub - ResearchHub

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Journal of Chemical Theory and Computation

American Chemical Society (ACS) · ISSN 1549-9618

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Researchers publishing here

19 linked researchers

Hao-En Li· Unclaimed researcher profile imported from scholarly metadata Lin Lin· Unclaimed researcher profile imported from scholarly metadata Shun Liang· Unclaimed researcher profile imported from scholarly metadata Jiaqi Jiao· Unclaimed researcher profile imported from scholarly metadata Jincai Liang· Unclaimed researcher profile imported from scholarly metadata Zhongqiu Liu· Unclaimed researcher profile imported from scholarly metadata Lixin Duan· Unclaimed researcher profile imported from scholarly metadata Ruibo Wu· Unclaimed researcher profile imported from scholarly metadata Jia Nie· Unclaimed researcher profile imported from scholarly metadata You Li· Unclaimed researcher profile imported from scholarly metadata Zhixia Wang· Unclaimed researcher profile imported from scholarly metadata Xiaolong Zhang· Unclaimed researcher profile imported from scholarly metadata William Dawson· Unclaimed researcher profile imported from scholarly metadata Louis Beal· Unclaimed researcher profile imported from scholarly metadata Marco Zaccaria· Unclaimed researcher profile imported from scholarly metadata Luigi Genovese· Unclaimed researcher profile imported from scholarly metadata Ying Zheng· Researcher profile created after administrator approval Feng Wang· Researcher profile created after administrator approval Fan Zhang· Researcher profile created after administrator approval

Research in this journal

A Physics-Constrained Synergetic Active- and Transfer-Learning Framework for Constructing a Spectroscopically Accurate Full-Dimensional Potential Energy Surface of H2O–N2 Complex2026 · Jia Nie, You Li, Zhixia Wang · 0 citations

Modeling the Impact of Active Site Mutations on the Quenching Fate and Cyclization Depth of a Rare Oxidosqualene Cyclase2026 · Chenxu Liu, Shun Liang, Ying Zheng · 0 citations

Dissipative Quantum Algorithms for Excited-State Quantum Chemistry2026 · Hao-En Li, Lin Lin · 0 citations

Coupling Quantum Mechanical Modeling and Molecular Dynamics on Heterogeneous Supercomputers for Studying Distal Mutation Effects on Drug Binding in HIV-12026 · William Dawson, Louis Beal, Marco Zaccaria · 0 citations