Weiliang Luo

6PUBLICATIONS
21CO-AUTHORS
Chemical engineering designComputational chemistryBiologically active moleculesTheoretical quantum chemistryBioinformatic methods development
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Publications (6)

|Aug 26, 2026
Enhancing materials discovery with valence-constrained design in generative modeling.

|Aug 12, 2026
Robust generative transition-state models for unseen chemistry.

|May 05, 2026
QuantumPDB: A Workflow for High-Throughput Quantum Cluster Model Generation from Protein Structures.

|Apr 15, 2026
Mammalian-like steroidogenesis in plants gives rise to endocrine-mimetic cardenolides.

|Jul 07, 2025
Regularized Second-Order Møller-Plesset Theory: Linear Scaling Implementation and Assessment on Large-Molecule Problems.

Zhenling Wang, Tianyi Shi, Weiliang Luo

|Sep 27, 2024
Bridging Machine Learning and Thermodynamics for Accurate pK a Prediction.

Weiliang Luo, Gengmo Zhou, Zhengdan Zhu

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Frequent Collaborators

5 joint publications

Heather J Kulik

2 joint publications

David W Kastner

1 joint publications

Zhengdan Zhu

1 joint publications

Zhenling Wang