From the group
We are glad to announce that Professor Zhonghan Hu from Qingdao Institute for Theoretical and Computational Sciences (QITCS), Shandong University will give an online seminar on “A MEAN-FIELD VIEW OF THE SCREENING EFFECT IN SIMULATIONS” at NYU-ECNU Center for Computational Chemistry.
Xiang gives an invited talk at East China University of Science and Technology on “Photoinduced Charge Transfer Dynamics via Semiclassical Method”.
Host: Youjun Yang
Our paper on Linear-Response and Nonlinear-Response of instantaneous Marcus theory (IMT) was accepted by JCTC! Congratulations, Domi!
Dominikus Brian, Xiang Sun, Linear-Response and Nonlinear-Response Formulations of the Instantaneous Marcus Theory for Nonequilibrium Photoinduced Charge Transfer, J. Chem. Theory Comput. (accepted)
Our manuscript on aggregation-induced dual phosphorescence was accepted by Nature Communications, Congrats, Zhubin!
Tao Wang, Zhubin Hu, Xiancheng Nie, Linkun Huang, Hui Miao, Xiang Sun, Guoqing Zhang, Thermochromic Aggregation-Induced Dual Phosphorescence via Temperature-Dependent sp3-Linked Donor-Acceptor Electronic Coupling, Nat. Commun. 12, 1364 (2021).
Xiang gives a talk at 2020 Statistical Mechanics Symposium of Complex Systems.
We obtain the Open Research Fund of the Hefei National Laboratory for Physical Sciences at the Microscale.
Topic: Theoretical study of charge transfer dynamics in hydrogen-bonded liquids
Xiang gives an invited talk entitled Photoinduced Charge Transfer Dynamics via Semiclassical Methods* at Chemical Physics Youth Forum – 2020 Theoretical and Computational Chemistry Seminar organized by the Chinese Journal of Chemical Physics, USTC, and Qiang Shi and Peng Bao from the Institute of Chemistry, CAS.
Our paper on semiclassical nonequilibrium Fermi’s golden rule for photoinduced charge transfer has been accepted by JPC B!
Zhubin Hu, Zhengqing Tong, Margaret S. Cheung, Barry D. Dunietz, Eitan Geva, Xiang Sun, Photoinduced Charge Transfer Dynamics in Carotenoid-Porphyrin-C60 Triad via the Linearized Semiclassical Nonequilibrium Fermi’s Golden Rule, J. Phys. Chem. B (accepted)
Our paper on charge transfer rate with polarizable force fields and the right level of electronic structure was accepted by JCTC!
Jaebeom Han, Pengzhi Zhang, Huseyin Aksu, Buddhadev Maiti, Xiang Sun, Eitan Geva, Barry D. Dunietz, and Margaret S. Cheung, On the Interplay Between Electronic Structure and Polarizable Force Fields When Calculating Solution-Phase Charge Transfer Rates, J. Chem. Theory Comput. (accepted)
We are organizing biweekly series of Virtual International Seminar on Theoretical Advancements (VISTA). Faculty and students are welcome to propose to give a 40 min or 20 min Zoom talk. For more details on schedule, please see
https://quantum-dynamics-hub.github.io/VISTA/
The bi-weekly seminar series “Virtual International Seminar on Theory Advancement” (VISTA) is a “presentation journal”, a platform to facilitate interactions and scientific discussions of the International community at covid time and beyond. The seminar features presentations by researchers at various levels (from undergraduate students to faculty and scientists) on theory and computations for nonequilibrium dynamics of excited states and quantum dynamics, broadly defined. Of special interest to this seminar are new developments in quantum and nonadiabatic dynamics, trajectory-based and surface hopping approaches, semiclassical and quantum-classical methodologies, new software and tools for nonadiabatic and quantum dynamics, as well as the applications of these cutting-edge techniques to a variety of complex systems and materials, such as solar energy harvesting and photoresponsive materials. The experimental works that require attention of and can benefit from theoretical investigations are also of interest.