国家自然基金

祝贺王静博士喜获国家自然科学基金青年基金项目和理论物理专款项目。

祝贺郭振东博士喜获国家自然科学基金青年基金项目。

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

祝贺陈高远在 Chem 上发表论文,基于 SSW 方法确定了 CsPbI3 钙钛矿 γ→δ 相转变路径,并为稳定 CsPbI3 提供了合理的指导(如掺杂和应变)。

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

2022届研究生毕业

祝贺2022届研究生毕业

苏州 · 2022/06/22

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

祝贺程观剑在 Nature Communications 上发表论文,结合机器学习和优化算法加速晶体结构预测,实现计算成本比传统方法低三个数量级。

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).

祝贺郭振东博士在 EES 发表文章,该工作结合物理模型和体模量计算,揭示钙钛矿里面软晶格的物理起源,并通过改变 Pb-I 反键耦合强弱来调整无机晶格的软硬程度进而证明钙钛矿的软晶格将极大提高自身载流子寿命。

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)

祝贺翁百成,宋志龙在 Nature Communications上发表论文,利用符号回归(机器学习)挑战传统催化火山图(经验知识),发现与催化活性线性相关的催化描述子,并指导实验合成新型钙钛矿氧化物催化剂。

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)

祝贺王静在 Advanced Materials 上发表论文,阐述 Br 掺杂 CH3NH3PbI3 如何提高载流子寿命问题。

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.