News

Xiang gives an invited talk at the 2024 Chinese Materials Conference & 2nd World Materials Conference in Guangzhou. 

Congratulations to Zengkui and Ningyi! The benchmark paper was accepted by J. Chem. Phys. Thanks for years of collaboration with the Batista group! 

Zengkui Liu⁺, Ningyi Lyu⁺, Zhubin Hu, Hao Zeng, Victor S. Batista, Xiang Sun, Benchmarking Various Nonadiabatic Semiclassical Mapping Dynamics Methods with Tensor-Train Thermo-Field Dynamics, J. Chem. Phys. 161, 024102 (2024).

 

Xiang gives a talk at the 6th National Conference on Ultrafast Spectroscopy in Beihai, Guangxi on July 7, 2024.

 

2024 International Symposium on Quantum Dynamics of Complex Systems

The symposium focuses on understanding the electronic and nuclear quantum effects in complex molecular systems, liquids, materials, and biomolecules. From unraveling nonadiabatic transition between multiple potential energy surfaces in photoinduced processes to elucidating the impact of nuclear tunneling and zero-point energy, quantum effects emerge as pivotal factors in these complex systems. The challenge to simulate quantum dynamics in large, disordered, and warm systems has motivated the development of new tools to accurately describe many-body interactions and quantum dynamics on the atomistic level. Through theoretical and computational approaches, efforts will be directed towards modeling quantum dynamical phenomena in realistic scenarios such as spectroscopy of condensed-phase matter, photochemical reactions in biological chromophores, and electronic energy transfer in photovoltaic devices. The symposium offers a cutting-edge platform for international scholars working in the vibrant and rapidly evolving field, fostering collaboration and innovation. The gathering of outstanding scholars will cultivate novel ideas and methodologies for tackling complex challenges. It also provides excellent learning experiences for young scholars and graduate students. The symposium is co-sponsored by the Editorial Office of the Chinese Journal of Chemical Physics and NYU-ECNU Center for Computational Chemistry at NYU Shanghai.

Date: July 2, 2024

Venue: NYU Shanghai | 567 West Yangsi Road, Pudong New District, Shanghai, China

Website: https://www.quantum-dynamics-symposium.org/ 

Invited Speakers:

• Jun Chen | Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences

• Bina Fu | Dalian Institute of Chemical Physics, Chinese Academy of Sciences

• Xing Gao | Sun Yat-sen University

• Francesco Paesani | University of California, San Diego

• Jiajun Ren | Beijing Normal University

• Qiang Shi | Institute of Chemistry, Chinese Academy of Sciences

• Xiang Sun | NYU Shanghai

• Yasuteru Shigeta | University of Tsukuba

• Mark Tuckerman | New York University

• Linjun Wang | Zhejiang University

• Yi Zhao | Xiamen University

• Xiao Zheng | Fudan University

Congratulations to Zengkui and Ningyi on the accepted paper by J. Chem. Phys.! This work was based on collaboration with Prof. Victor Batista of Yale University. 

• Zengkui Liu, Ningyi Lyu, Zhubin Hu, Hao Zeng, Victor S. Batista, Xiang Sun, Benchmarking Various Nonadiabatic Semiclassical Mapping Dynamics Methods with Tensor-Train Thermo-Field Dynamics, J. Chem. Phys. (accepted)

We are glad to have Yiqun Cui, Samuel Xu, and Kangqi Yang here to join our team for the summer research. Welcome!

Congrats to Brian Liu on winning the Honors Degree in Chemistry! His undergraduate thesis is “Advancing Quantum Dynamics Simulations: A Comparative Study of Dynamical Methods for the Spin-Boson Model”. 

 

We are excited to welcome Xu Gong and Can Deng to our group as part of the NET Master’s program. The NET program is a graduate program jointly offered by NYU and ECNU, and our group is affiliated with the Precision Spectroscopy Lab of ECNU.

Congrats, our paper on semiclassical time-convolution and time-convolutionless quantum master equations was accepted by The Journal of Chemical Physics!

Xiang Sun, Zengkui Liu, Semiclassical Approaches to Perturbative Time-Convolution and Time-Convolutionless Quantum Master Equations for Electronic Transitions in Multistate Systems, J. Chem. Phys. (accepted).

Congratulations to Zengkui and Zailing on the acceptance of the all-atom IMT for multi-state systems by J. Chem. Theory Comput.! 

Zengkui Liu, Zailing Song, Xiang Sun, All-Atom Photoinduced Charge Transfer Dynamics in Condensed Phase via Nonlinear-Response Instantaneous Marcus Theory, J. Chem. Theory Comput. (accepted), DOI: 10.1021/acs.jctc.4c00010