From the group
Our invited review paper on Instantaneous Marcus Theory (IMT) for photoinduced charge transfer has been accepted by Wiley Interdisciplinary Reviews in Computational Molecular Science!
Please join me in welcoming undergraduate researchers Haoyuan, Yanxi, and Zhiqian to our group! Hope to work together and make scientific progress!
Our invited review paper on the multistate harmonic (MSH) model for nonadiabatic dynamics in condensed phase has been accepted by JCTC!
Xiang gives a talk on Photoinduced Charge Transfer Dynamics in the Condensed Phase in the When Ultrafast Spectroscopy Meets AI: Challenges and Opportunities Conference, organized by HKUST, December 5-7, 2025 at Hong Kong, China.
Xiang gives an invited talk at the 13th Conference on Computational Statistical Mechanics of Complex Systems, organized by Shenzhen Bay Lab, at Shenzhen, Guangdong, Nov 7-9, 2025.
Congratulations to Zengkui Liu on passing the PhD thesis dissertation! Now, you may call him Dr. Liu!
Zengkui’s PhD dissertation is “Semiclassical Nonadiabatic Dynamics in the Condensed Phase: From Model Benchmarking to All-Atom Simulation for Electronic Spectroscopy“.
Xiang gives an invited talk at the 16th International Conference on Computational Nanoscience and New Energy Materials (CNNEM2025), at Changchun, Jilin, Sep 5-9, 2025.
I am glad to announce that we received the Young Scientists Program (Category B) – formerly known as the Excellent Young Scientists Program – from NSFC!
News from the NYU-ECNU Center for Computational Chemistry can be found here.
Please join me in welcoming Jialong, Zihan, and Shurun to our group! Hope to work together and make scientific progress!
Hao and Yitian’s contribution to the invited special issue for Zlatko Bačić Festschrift on machine-learning for wavefunction dynamics is accepted by Molecular Physics!