国家自然科学基金

Congratulations to Dr. Zhendong Guo is granted the National Natural Science Foundation of China Youth Fund Project.

Congratulations to Dr. Wang Jing Wang is granted the National Natural Science Foundation of China Youth Fund Project and Theoretical Physics Special Fund Project.

中国高被引学者
G.-Y. Chen, Z.-D. Guo, X.-G. Gong, W.-J. Yin, Chem (2022).

Congratulations to Gaoyuan Chen on his paper published in Chem. In this work, the γ-to-δ phase lowest-energy transition pathways of the CsPbI3 perovskite was solved using the SSW method, and provided quantitative rational engineering principles, such as doping and strain, for stabilizing CsPbI3.

G.-Y. Chen, Z.-D. Guo, X.-G. Gong, W.-J. Yin, Chem (2022).

2022届研究生毕业

Congratulations to the 2022 graduate students.

Suzhou · 2022/06/22

G. Cheng, X.-G. Gong, W.-J. Yin, Nat Commun. 13, 1492 (2022).

Congratulations to Guanjian Cheng on his paper published in Nat Commun.. In this work, combining machine learning and optimization algorithms to accelerate crystal structure prediction, achieving computational costs three orders of magnitude lower than traditional methods.

G. Cheng, X.-G. Gong, W.-J. Yin, Nat Commun. 13, 1492 (2022).

Z. Guo, J. Wang, and W.-J. Yin, Energy Environ. Sci. (2021).

Congratulations to Zhendong Guo on his paper published in Energy Environ. Sci.. This work combines physical modeling and bulk modulus calculations to reveal the physical origin of the soft lattice in chalcocite and to demonstrate that the soft lattice of chalcocite will greatly improve its carrier lifetime by adjusting the softness of the inorganic lattice by changing the strength of the Pb-I antibonding coupling.

Z. Guo, J. Wang, and W.-J. Yin, Energy Environ. Sci. (2021).

B. Weng#, Z.Song#, R. Zhu, Q. Yan, Q. Sun, C. Grice, Y. Yan* and W-J. Yin*, Nature Communications 11, 3513 (2020)

Congratulations to Baicheng Weng & Zhilong Song on the paper published in Nature Communications. In this work, symbolic regression (machine learning) is used to challenge traditional catalytic volcano maps (empirical knowledge), discover catalytic descriptors that are linearly correlated with catalytic activity, and guide the experimental synthesis of novel chalcogenide oxide catalysts.

B. Weng#, Z.Song#, R. Zhu, Q. Yan, Q. Sun, C. Grice, Y. Yan* and W-J. Yin*, Nature Communications 11, 3513 (2020)

Jing Wang, Wei Li and Wan-Jian Yin*, Advanced Materials 32, 1906115 (2020)

Congratulations to Jing Wang on his paper published in Advanced Materials, the issue of how br doping of CH3NH3PbI3 can improve the carrier lifetime is explained in this paper.

Jing Wang, Wei Li and Wan-Jian Yin*, Advanced Materials 32, 1906115 (2020)

Solving the Energy and Materials Challenge through Computation

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WHAT ARE WE DOING?

  • 1. Defect Physics

    We develop approaches for defect calculation based on first-principles calculations and apply it to fundamental understanding and defect control of semiconductors, oxides and solar cell absorbers.

  • 2. Materials Design

    We develop the scheme of high-throughput computing and machine learning and apply it to materials screening and design for renewable energy harvesting.

  • 3. Graphene Growth

    We collaborate with renowned experimental group on graphene growth, understand the growth mechanism and provide guidance.