Mingjie Liu

13PUBLICATIONS
28CO-AUTHORS
Process control and simulationCatalysis and mechanisms of reactionsMain group metal chemistryPolymers and plasticsTransition metal chemistry
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Publications (13)

|Jul 21, 2026
MolGuidance: Advanced Guidance Strategies for Conditional Molecular Generation with Flow Matching.

|Jan 21, 2026
PropMolFlow: property-guided molecule generation with geometry-complete flow matching.

Cheng Zeng, Jirui Jin, Connor Ambrose

|Oct 08, 2025
Tuning axial ligand coordination for enhanced activity and selectivity in metal-nitrogen-carbon single-atom catalysts for the oxygen reduction reaction.

Hong-Yi Wang, Mingjie Liu

|Mar 10, 2025
Harnessing DFT and machine learning for accurate optical gap prediction in conjugated polymers.

Bin Liu, Yunrui Yan, Mingjie Liu

|Jan 02, 2025
Two-Dimensional Transition Metal Dichalcogenides: A Theory and Simulation Perspective.

Sunny Gupta, Jun-Jie Zhang, Jincheng Lei

|Dec 16, 2024
Electronic Desymmetrization of Cu3(μ3-E) Clusters (E = S, Se) Induced by Edge-to-Face π-Stacking Interactions in the Second Coordination Sphere.

Pinar Alayoglu, M Victoria Lorenzo Ocampo, Zhiyu Wang

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Frequent Collaborators

3 joint publications

Qin Wu

2 joint publications

Richard G Hennig

2 joint publications

Ellad B Tadmor

2 joint publications

Cheng Zeng