程曦月，2011年毕业于中南大学，获学士学位；2016年毕业于中国科学院金属研究所，获工学博士学位。随后进入中国科学院福建物质结构研究所工作，任助理研究员，2019年晋升为副研究员，2024年起晋升为研究员。2024年4月至2025年3月，在海外开展访问研究。
主要研究方向包括：基于密度泛函理论研究固体材料的电子、光学、热力学和动力学性质；利用高通量计算和机器学习方法进行材料设计；开发材料高通量计算软件并构建光学材料基因数据库。
目前已在 Angew. Chem. Int. Ed., Research等期刊发表SCI论文40余篇，主持国家级及省部级科研项目6项。曾获2016年中国科学院院长优秀奖，入选2017年海西研究院“青年创新人物”、2019年入选“中国科学院青年创新促进会会员”及海西院“春苗”青年人才，2020年入选福建省科协第二届青年人才托举工程，2022年获评福建省级高层次人才（C类）。

1. X. Cheng, M.-H. Whangbo*, G.-C. Guo, M. Hong, S. Deng*, The Large Second-Harmonic Generation of LiCs2PO4 is caused by the Metal-Cation-Centered Groups. Angew. Chem. Int. Ed. 2018, 57, 3933-3937.

2. X. Cheng, E. E. Gordon, M.-H. Whangbo*, S. Deng*, Superconductivity Induced by Oxygen Doping in Y2O2Bi. Angew. Chem. Int. Ed. 2017, 56, 10123-10126.

3. S.-P Guo#*, X. Cheng#, Z.-D. Sun, Y. Chi, B.-W Liu, X.-M. Jiang, S.-F. Li, H.-G. Xue, S. Deng*, V. Duppel, J. Kӧhler, G.-C. Guo*, Large SHG Effect and High LIDT Observed Coexisting in Gallium Selenide: a Simple but Perfect Case, Angew. Chem. Int. Ed. 2019, 131(24), 8171-8175.

4. B. Guo#, X. Cheng#, Y. Tang, W. Guo, S. Deng*, L. Wu, X. Fu*, Dehydrated UiO-66(SH)2 : The Zr-O Cluster and Its Photocatalytic Role Mimicking the Biological Nitrogen Fixation, Angew. Chem. Int. Ed. 2022, 61, e202117244

5. A.-A. Zhang#, X. Cheng#, X. He, W. Liu, S. Deng, R. Cao*, T.-F. Liu*, Harnessing Electrostatic Interactions for Enhanced Conductivity in Metal-Organic Frameworks, Research 2021, 2021, 9874273.

6. W.-D. Yao, X. Cheng*, S.-P. Guo, M.-H. Whangbo, B. Ding, S. Deng*, Phase Competition and Strong SHG Responses of the Li2MIIMIVSe4 Family: Atom Response Theory Predictions versus Experimental Results, Chem. Mater. 2023, 35, 1159-1167.

7. X. Cheng, Z. Li, X. Wu, M. Hong, M.-H. Whangbo*, S. Deng*, Key factors controlling the large second harmonic generation in nonlinear optical materials, ACS Appl. Mater. Interfaces, 2020, 12(8): 9434-9439.

8. R. Ye#, X. Cheng#, B.-W. Liu, X.-M. Jiang*, L.-Q. Yang, S. Deng*, G.-C. Guo*, Strong nonlinear optical effect attained by atom-response-theory aided design in the Na2MIIMIV2Q6 (MII=Zn, Cd; MIV= Ge, Sn; Q= S, Se) chalcogenide system, J Mater. Chem. C, 2020, 8(4): 1244-1247.

9. B. Ding, X. Cheng*, H. Mi, J. Kohler, Q. Yang, T. Yang and S. Deng*, Insight into the Origin of Second Harmonic Generation and Rational Design in the Metal Halide Borates, Inorg. Chem., 2025, 64, 1153−1163.

10. X. Cheng, M.-H. Whangbo*, M. Hong, S. Deng*, Dependence of the second-harmonic generation response on the cell volume to band-gap ratio. Inorg. Chem. 2019, 58, 9572–9575.

11. X. Cheng#, S. Muthukrishnan#, H. Mi, S. Deng*, G. Serdaroğlu, R. Vidya, A. Stroppa*, Mixed Organic Cation in Chiral Two-Dimensional Organic–Inorganic Hybrid Metal Halides─An Ab Initio Study of Nonlinear Optical (NLO) Properties, J Phys. Chem. C 2024, 128, 11392-11400.

12. X. Cheng*, Y. Zhang, L. Liu, X. Wang*, M. H. Whangbo, J. Lin, S. Deng*, Structure and Origin of the Second-Harmonic Generation Response of Nonlinear Optical Material Sr2Be2B2O7, J Phys. Chem. Lett. 2021, 12, 11399-11405.

授权专利：

1）程曦月，邓水全，秘汉相，丁博翰，一种基于高通量计算分析材料光学性质的系统，202310671311.X

软件著作权：

1）邓水全，程曦月，秘汉相，李振华, ARTATOP光学性质及原子响应分析软件V1.0，2021SR0802704

2）程曦月，邓水全，秘汉相，丁博翰，HTOP光学性质第一原理高通量计算软件包V1.0，2023SR11067744