Haitao Liu

20PUBLICATIONS
30CO-AUTHORS
Condensed matter modelling and density functional theoryMetal cluster chemistryDegenerate quantum gases and atom opticsElectrometallurgyMetal organic frameworks
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (20)

|Jul 27, 2026
Minimizing propagated density errors of atomic core-electron for simultaneously accurate bandgaps and lattice constants in closed-shell copper semiconductors.

|Feb 11, 2026
Theoretical insight into the unique structural stabilization mechanism in actinide-centered boride.

Shu-Xian Hu, PengXiang Qiu, Haitao Liu

|Nov 20, 2025
Pseudopotentials, an Overlooked Source and Remedy of DFT Errors.

Kuiyu Ye, Jiale Shen, Haitao Liu

|Jun 20, 2025
Gradient Desolvation-Diffusion Kinetic Layer Promoters for Low-Temperature Dendrite-Free Zn Metal Batteries.

Wenbin Wang, Jing Dong, Hongfei Hu

|Jul 03, 2024
Stability and chemical bonding in a series of inverse sandwich actinide boride clusters (An2B8) with δ bonding.

Shu-Xian Hu, Hai-Tao Liu, Zhi-Yu Wei

|Jun 24, 2024
A way to identify whether a DFT gap is from right reasons or error cancellations: The case of copper chalcogenides.

Jiale Shen, Haitao Liu, Yuanchang Li

Pageof 4

Frequent Collaborators

6 joint publications

Shu-Xian Hu

4 joint publications

Jian Wang

4 joint publications

Yuanchang Li

3 joint publications

Qingbo Xiao