Junwei Lucas Bao

38PUBLICATIONS
59CO-AUTHORS
Medical molecular engineering of nucleic acids and proteinsTheoretical quantum chemistryComputational chemistryFoundations of quantum mechanicsElectrical energy generation (incl. renewables, excl. photovoltaics)
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Publications (38)

|Sep 09, 2026
Development of m6A Readers for Enhanced Recognition In Vitro via Genetic Code Expansion.

|Sep 08, 2026
Optimizing Effective Potentials via Gradient-Enhanced Surrogates for Quantum Embedding.

|Jul 20, 2026
High-Fidelity Surrogate Framework for Rapid Solvation of Gas-Phase and Interfacial Reaction Potential Energy Surfaces.

|Apr 24, 2026
Feynman Path Tube-Guided Surrogate Ring-Polymer Dynamics for Quantum Nuclear Transfer in the Gas Phase and on Surfaces.

|Mar 23, 2026
Catalyzing the Polysulfide Redox Chemistry in Lithium-Sulfur Batteries: Mechanisms Bridging First-Principles Theory and Experimental Characterization.

Kebao Xia, Tangzheng Shen, Kaixin Ren

|Sep 16, 2025
Multiconfiguration Pair-Density Functional Theory with Quantum Embedding Predicts Correct CO Adsorption Sites on Copper Facets.

Elijah Begin, Junwei Lucas Bao

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Frequent Collaborators

12 joint publications

Donald G Truhlar

6 joint publications

Bo Long

6 joint publications

Chong Teng

5 joint publications

Dunwei Wang