Lei Li

19PUBLICATIONS
57CO-AUTHORS
Electrical energy generation (incl. renewables, excl. photovoltaics)Chemical and thermal processes in energy and combustionElectrometallurgyReaction kinetics and dynamicsArtificial life and complex adaptive systems
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Publications (19)

|Apr 20, 2026
qNEP: A Highly Efficient Neuroevolution Potential with Dynamic Charges for Large-Scale Atomistic Simulations.

|Sep 11, 2025
Enzyme-Click Postsynthetic Modification of Covalent Organic Frameworks for Photocatalytic H2O2 Production.

Quan Zuo, Bingxian Chu, Xinhe Ye

|Feb 27, 2025
Rational Design of a Quasi-Metal-Organic Framework by Ligand Engineering for Efficient Biomass Upgrading.

Ning-Yu Huang, Bingxian Chu, Di Chen

|Dec 16, 2024
Electronic regulation of single-atomic Ti sites on metal hydroxide for boosting photocatalytic CO2 reduction.

Ning-Yu Huang, Bai Li, Duojie Wu

|Dec 11, 2024
Well-Defined Co2 Dual-Atom Catalyst Breaks Scaling Relations of Oxygen Reduction Reaction.

Qidi Sun, Xian Yue, Linke Yu

|Nov 19, 2024
Automatic Feature Selection for Atom-Centered Neural Network Potentials Using a Gradient Boosting Decision Algorithm.

Renzhe Li, Jiaqi Wang, Akksay Singh

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Frequent Collaborators

4 joint publications

Graeme Henkelman

4 joint publications

Joseph S Francisco

3 joint publications

Akksay Singh

3 joint publications

Qiang Xu