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Weiliang Luo

massachusetts institute of technology

3H-index
18Paper Count
37Citation Count
Published Papers 7
Publication Date
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Enhancing materials discovery with valence-constrained design in generative modeling
errNature Computational Science
IF18.3
err2026-08-26
err0
PREAI
errMouyang Cheng; Weiliang Luo; Hao Tang; Bowen Yu; Yongqiang Cheng; Weiwei Xie; Ju Li; Heather J. Kulik; Mingda Li
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Robust generative transition-state models for unseen chemistry
errNature Computational Science
IF18.3
err2026-08-12
err0
PREAI
errSamir Darouich; Jacob W. Toney; Weiliang Luo; Johannes Kästner; Mathias Niepert; Heather J. Kulik
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QuantumPDB: A Workflow for High-Throughput Quantum Cluster Model Generation from Protein Structures
errJournal of Chemical Information and Modeling
IF5.3
err2026-05-05
err0
errOAAI
errDavid W. Kastner; Weiliang Luo; Wilson Ho; Clorice R. Reinhardt; Allison Keys; Heather J. Kulik
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Mammalian-like steroidogenesis in plants gives rise to endocrine-mimetic cardenolides
errScience Advances
IF12.5
err2026-04-01
err0
PREAI
errXu, Menglong; Kastner, David W.; Luo, Weiliang; Li, Fu-Shuang; Muller, Peter; Sun, Yulin; Huang, Wentao; Glinkerman, Christopher M.; Guempel, Morgan; Kulik, Heather J.; Weng, Jing-Ke
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Exploring beyond experiment: generating high-quality datasets of transition metal complexes with quantum chemistry and machine learning
errCurrent Opinion in Chemical Engineering
IF6.8
err2025-10-04
err0
PREAI
errJacob W Toney; Aaron G Garrison; Weiliang Luo; Roland G St. Michel; Sukrit Mukhopadhyay; Heather J Kulik
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errSave
Regularized Second-Order Møller–Plesset Theory: Linear Scaling Implementation and Assessment on Large-Molecule Problems
errJournal of Chemical Theory and Computation
IF5.5
err2025-07-07
err0
PREAI
errZhenling Wang; Tianyi Shi; Weiliang Luo; Heather J. Kulik; Yang Liu; Xiaoye S. Li; Martin Head-Gordon
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errSave
Bridging Machine Learning and Thermodynamics for Accurate pKa Prediction
errJACS AU
IF8.7
err2024-07-17
err3
errOAAI
errLuo, Weiliang; Zhou, Gengmo; Zhu, Zhengdan; Yuan, Yannan; Ke, Guolin; Wei, Zhewei; Gao, Zhifeng; Zheng, Hang
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Research Directions

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Co-authors
Cooperation Journals
李菊英 cover
李菊英 (Ju Li)
H-index: 147 · Papers: 1.3K
M
Martin Head‐Gordon
H-index: 130 · Papers: 1.0K
Y
Yongqiang Cheng
H-index: 72 · Papers: 400
H
Heather J. Kulik
H-index: 56 · Papers: 527
J
Jing‐Ke Weng
H-index: 51 · Papers: 164
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