Yubo Zhang

5PUBLICATIONS
7CO-AUTHORS
Functional materialsTheoretical quantum chemistryMain group metal chemistryElemental semiconductorsStructure and dynamics of materials
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Publications (5)

|Jan 02, 2025
Accurate DFT simulation of complex functional materials: Synergistic enhancements achieved by SCAN meta-GGA.

Da Ke, Jianwei Sun, Yubo Zhang

|Apr 01, 2024
Challenges for density functional theory in simulating metal-metal singlet bonding: A case study of dimerized VO2.

Yubo Zhang, Da Ke, Junxiong Wu

|May 05, 2023
Tilt grain boundaries in WS2 from low to high misorientation angles.

Da Ke, Jinquan Hong, Yubo Zhang

|Feb 27, 2023
Relativistic effects in complex compounds containing heavy elements: ternary Cu-Tl-X (X = S/Se/Te).

Da Ke, Leiqiang Li, Yubo Zhang

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