News

We are glad to announce that Professor Xuhui Huang from University of Wisconsin, Madison will give an online seminar on “Non-Markovian Dynamic Models of Protein Conformational Changes” at NYU-ECNU Center for Computational Chemistry.

Congratulations to Zhubin and Zengkui! The paper on excitation energy transfer in photosynthetic FMO complex is now accepted by J. Chem. Phys. B, and will also appear in the upcoming Early-Career and Emerging Researchers in Physical Chemistry Volume 2 Virtual Special Issue!

• Zhubin Hu, Zengkui Liu, Xiang Sun, Effects of Heterogeneous Protein Environment on Excitation Energy Transfer Dynamics in the Fenna-Matthews-Olson Complex, J. Phys. Chem. B (2022) DOI: 10.1021/acs.jpcb.2c06605

Xiang gives an invited talk at Telluride Workshop on Nonequilibrium Phenomena, Nonadiabatic Dynamics and Spectroscopy, Telluride, Colorado, USA, October 2-6, 2023.

We got funded by NSFC under Grant No. 22273059 from Jan 2023 to Dec 2026. Cheers, and keep up the good work!

Xiang gives invited talks at Yale University and Brown University on Sep 7-8, 2022.

Congratulations to Zhubin! Our paper on all-atom mapping dynamics was just accepted by the Journal of Chemical Theory and Computation.

• Zhubin Hu, Xiang Sun, All-Atom Nonadiabatic Semiclassical Mapping Dynamics for Photoinduced Charge Transfer of Organic Photovoltaic Molecule in Explicit Solvent, J. Chem. Theory Comput. 2022 (accepted)

Congratulations to Zengkui and Wen! Our paper on Open-Chain Path-Integral was accepted by The Journal of Chemical Physics. It may be accessed via the link: https://doi.org/10.1063/5.0098162

• Zengkui Liu, Wen Xu, Mark E. Tuckerman, Xiang Sun, Imaginary-Time Open-Chain Path-Integral Approach for Two-State Time Correlation Functions and Applications in Charge Transfer, J. Chem. Phys. (accepted) DOI: 10.1063/5.0098162

Welcome Haorui Hu, Sofia Xiong, and Yang Han to join our group as undergraduate researchers!

Congratulations, our paper on charge transfer rate constant in DBP/C70 is accepted by JPCL!

Jacob Tinnin, Srijana Bhandari, Pengzhi Zhang, Eitan Geva, Barry D. Dunietz, Xiang Sun, Margaret S. Cheung, Correlating interfacial charge transfer rates with interfacial molecular structure in the tetraphenyldibenzoperiflanthene/C70 organic photovoltaic system, J. Phys. Chem. Lett. (accepted)

Congrats to Daxin and Zhubin! The paper on the machine learning model based on CNN-LSTM for predicting quantum dynamics is now accepted by JCP!

Daxin Wu, Zhubin Hu, Jiebo Li, Xiang Sun, Forecasting Nonadiabatic Dynamics using Hybrid Convolutional Neural Network/Long Short-Term Memory Network, J. Chem. Phys. (accepted) ChemRxiv preprint