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The Journal of Chemical Physics|August 1, 2024
Kylin-V: An open-source package calculating the dynamic and spectroscopic properties of large systemsYihe Xu, Chungen Liu, Haibo MaPhysical Chemistry Chemical Physics : PCCP|June 6, 2025
Describing dynamic electron correlation beyond a large active spaceYinxuan Song, Yifan Cheng, Haibo MaThe Journal of Physical Chemistry Letters|March 24, 2024
Simultaneous Intra- and Intermolecular Singlet Fission in Bipentacene Macrocycle AggregatesZhangxia Wang, Xiaoyu Xie, Haibo MaJournal of Chemical Theory and Computation|November 7, 2024
Efficient Simulation of Inhomogeneously Correlated Systems Using Block Interaction Product StatesYifan Cheng, Zhaoxuan Xie, Xiaoyu Xie, et al.Cell Cycle (Georgetown, Tex.)|December 9, 2022
CircSCN8A suppresses malignant progression and induces ferroptosis in non-small cell lung cancer by regulating miR-1290/ACSL4 axisBaoxing Liu, Haibo Ma, Xingyu Liu, et al.Journal of Chemical Theory and Computation|July 20, 2023
New Density Matrix Renormalization Group Approaches for Strongly Correlated Systems Coupled with Large EnvironmentsYihe Xu, Yifan Cheng, Yinxuan Song, et al.Journal of Chemical Theory and Computation|July 28, 2018
Externally-Contracted Multireference Configuration Interaction Method Using a DMRG Reference Wave FunctionZhen Luo, Yingjin Ma, Xicun Wang, et al.The Journal of Chemical Physics|April 22, 2024
Theoretical investigation of distal charge separation in a perylenediimide trimerKe Wang, Yihe Xu, Xiaoyu Xie, et al.The Journal of Physical Chemistry. A|August 19, 2007
Theoretical study of very high spin organic pi-conjugated polyradicalsHaibo Ma, Chungen Liu, Congjie Zhang, et al.Chemical Science|December 15, 2021
Computational and data driven molecular material design assisted by low scaling quantum mechanics calculations and machine learningWei Li, Haibo Ma, Shuhua Li, et al.Pageof 13