一、基本情况：

苏州科技大学物理科学与技术学院讲师，硕士生导师。

2015.09－2018.06 厦门大学，材料工程，硕士，导师：王翠萍 刘兴军教授；

2018.09－2022.06 中国工程物理研究院北京高压科学研究中心，凝聚态物理，博士，导师：Howard Sheng研究员；

2022.06－至今 苏州科技大学，物理科学与技术学院，讲师；

2022.06－2025.11 北京高压科学研究中心，在职博士后，合作导师：Howard Sheng研究员；

2025.12－至今 南京大学物理学院，在职博士后，合作导师：孙建教授。

二、主要研究领域及学术成就：

长期从事高压条件下材料结构与物性的一体化计算研究，主要基于第一性原理计算、分子动力学模拟及机器学习势构建，系统探索材料在极端条件下的结构演化与新奇物性，在高压材料模拟与计算分析方面具有丰富经验。主要研究方向包括：晶体结构预测及相关物性计算、电子化合物（Electrides）、二维材料的金属化与超导性质、热电材料，以及固态氢、纳米限域氢等体系。主持国家自然科学基金青年项目1项、江苏省高校自然科学基金项目1项及国家重点实验室开放课题1项。2024年入选江苏省“科技副总”项目。在 J. Am. Chem. Soc.、Angew. Chem. Int. Ed.、Nano Letters、Appl. Phys. Lett.等国际权威期刊发表论文20余篇，担任Appl. Phys. Lett.、Phys. Chem. Chem. Phys.、Ionics等期刊审稿人。指导本科生参与创新创业项目及科研训练，其中承担省级创新创业项目1项，发表SCI二区论文1篇，相关工作获校级优秀毕业论文，并申报省优秀毕业论文。

三、代表性科研成果（⁺共同一作，*通讯作者）：

[1] C. Li, R. T. Howie, H. Dong, W. Yang, H.W. Sheng, X. Yan. Vibron softening of solid hydrogen under nano-confinement. Nano Lett. 25, 2096 (2025).

[2] X Zhang, W Li, J Feng, X Zhao, J Zhang, H Zhang, H Sheng, C Li*. Pressure-induced superconducting state and lifshitz transition in the van der Waals violet phosphorus. Appl. Phys. Lett., 127, 22 (2025).

[3] C. Li*. High-pressure structures of solid hydrogen: insights from ab-initio molecular dynamics simulations. J. Chem. Phys. 160, 144302 (2024).

[4] Y. Qin（本科生）, X. Zhang, S. Zhou, Y. Wang, G. Chen, C. Dai, W. Li, C. Li*. Electride transition in liquid aluminum under high pressure and high temperature. J. Chem. Phys. 162, 1 (2025).

[5] C. Li*, W. Yang, H.W. Sheng. Bridge-bond formation in aluminum and its alloys under high pressure. Phys. Rev. Mater. 6, 033601 (2022).

[6] Y. Xie （研究生）, M. Li, C. Li*. Pressure-Induced Phase Transitions in Co₃O₄: a First-principles Study. Phys. Chem. Chem. Phys. (2026).

[7] C. Li*, W. Li, X. Zhang, et al. Predicted stable electrides in Mg-Al system under high pressure. Phys. Chem. Chem. Phys. 24, 12260 (2022).

[8] C. Li, C. Wang, J. Han, et al. A comprehensive study of the high pressure-temperature phase diagram of silicon. J. Mater. Sci. 53, 7475 (2018).

[9] J. Feng⁺, C. Li⁺, W. Deng, et al. Superconductivity induced by Lifshitz transition in pristine SnS₂ under high pressure. J. Phys. Chem. Lett. 13, 9404 (2022).

[10] W. Li, C. Li, X. Zhang, et al. Changing rate-determining step for expediting oxygen evolution reaction by varying the cation and anion complexity in metal phosphorous trichalcogenide electrocatalysts. Angew Chem. Int. Ed. 62, e202214570 (2023).

[11] L. Qu, Y. Luo, C. Li*, J. Cui*. Chemical composition modulation realizing remarkable improvement of thermoelectric performance in CuInTe₂-Based Alloy. ACS Appl. Mater. Inter. 16, 23596 (2024).

[12] L. Qu, C. Yang, Y. Luo*, Z. Du, C. Li*, J. Cui*. Band structure and phonon transport engineering realizing remarkable improvement in thermoelectric performance of Cu₂SnSe₄ incorporated with In₂Te₃. ACS Appl. Mater. Inter. 14, 45628 (2022).

[13] L. Qu, C. Yang, Y. Luo*, C. Li*, Z. Du, J. Cui*. Improved thermoelectric performance of Cu₂SnSe₄ by proper decoupling between electron and phonon through replacement of Sn with In. Adv. Eng. Mater. 25, 2201487 (2023).

[14] C. Yang, L. Qu, Y. Luo*, Y. Xia, C. Li*, X. Li, J. Cui*. Multiple transport mechanisms responsible for improved thermoelectric performance of Cu₅Sn₂Se₇ with incorporation of In₂Te₃. ACS Appl. Energy Mater. 6, 5388 (2023).

[15] W. Li, J. Feng, X. Zhang, C. Li, et al. Metallization and superconductivity in the van der Waals compound CuP₂Se through pressure-tuning of the interlayer coupling. J. Am. Chem. Soc. 143, 20343 (2021).

[16] C. Wang, C. Li, J. Han, et al. The pressure-temperature phase diagram of pure Co based on first-principles calculations. Phys. Chem. Chem. Phys. 19, 22061 (2017).

[17] X Zhang, C Li, W Wu, W Li High-entropy electrocatalysts toward high-performance oxygen evolution reaction: a perspective from atomic-scale electronic structure modulation. Electron. Struct. 7, 043001 (2025).

[18] J. Zhen, W. Deng, C. Li, et al. Superconductivity in In₂Te₃ under compression induced by electronic and structural phase transitions. J. Phys. Chem. Lett. 13, 1226 (2022).