Cheng-Han Li

7PUBLICATIONS
14CO-AUTHORS
Theoretical quantum chemistryPolymers and plasticsPolymerisation mechanismsChemical and thermal processes in energy and combustionElectrical energy generation (incl. renewables, excl. photovoltaics)
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Publications (7)

|Oct 27, 2025
GPU-Accelerated Graph-Based Semiempirical Quantum Chemistry.

Maksim Kulichenko, Robert M Stanton, Cheng-Han Li

|Mar 14, 2025
Shadow Molecular Dynamics with a Machine Learned Flexible Charge Potential.

Cheng-Han Li, Mehmet Cagri Kaymak, Maksim Kulichenko

|Jun 28, 2024
Structural, Ionic, and Electronic Properties of Solid-State Phthalimide-Containing Polymers for All-Organic Batteries.

Riccardo Alessandri, Cheng-Han Li, Sheila Keating

|Feb 15, 2024
Charge Transfer in Spatially Defined Organic Radical Polymers.

Ting Ma, Evan Fox, Miao Qi

|Oct 20, 2023
Generative organic electronic molecular design informed by quantum chemistry.

Cheng-Han Li, Daniel P Tabor

|Apr 05, 2023
Reorganization Energy Predictions with Graph Neural Networks Informed by Low-Cost Conformers.

Cheng-Han Li, Daniel P Tabor

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Frequent Collaborators

6 joint publications

Daniel P Tabor

3 joint publications

Jodie L Lutkenhaus

2 joint publications

Ting Ma

2 joint publications

Nicholas Lubbers