Tao Liu

10PUBLICATIONS
35CO-AUTHORS
Theory and design of materialsColloid and surface chemistryCatalysis and mechanisms of reactionsOptical properties of materialsOrganic chemical synthesis
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Publications (10)

|Jul 22, 2025
Bottom-up computational design of shape-selective organic macrocycles for humid CO2 capture.

Tao Liu, Hang Qu, Sam D Harding

|Jun 20, 2025
Selective CO2 Adsorption in Ultrahydrophobic Molecular Pyrene Frameworks by Computational Design.

Sam D Harding, Tao Liu, Linjiang Chen

|Apr 17, 2025
Quantifying interactions in the active encounter complex of frustrated Lewis pairs.

Alastair T Littlewood, Tao Liu, Laura E English

|Sep 16, 2024
Time-resolved vibrational spectroscopic study of molecular nanoaggregate photocatalysts.

Chao Li, Tao Liu, Owen Thwaites

|Jun 11, 2024
Sequential closed-loop Bayesian optimization as a guide for organic molecular metallophotocatalyst formulation discovery.

Xiaobo Li, Yu Che, Linjiang Chen

|Jun 04, 2024
Screening potential dye sensitizers for water splitting photocatalysts using a genetic algorithm.

Tao Liu, Linjiang Chen, Xiaoyan Wang

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Frequent Collaborators

9 joint publications

Andrew I Cooper

5 joint publications

Linjiang Chen

4 joint publications

Xiaobo Li

2 joint publications

Lunjie Liu