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    Just Accepted

    Just accepted articles have been peer-reviewed and accepted, which are not yet assigned to volumes/issues, but are citable by Digital Object Identifier (DOI).
    A Multi-Scale Molecular Dynamics Scheme/Toolkit for Polymer Modeling
    Miaolan Zhen, Mingyang Li, Jialei Xu, Rui Shi, hujun qian, Youliang Zhu, Zhong-Yuan Lu
    Abstract PDF
    Sublinear scaling second-order polarization propagator approximation (SOPPA) for the calculation of indirect spin-spin coupling constants
    Bohan Yan, Yong Zhang, Yang Guo
    Abstract PDF
    KSSOLV-GPU 2.0: A lightweight MATLAB toolbox for GPU-accelerated plane-wave hybrid functional and spin-polarized density functional theory calculations
    YeHao Zeng, Zhenlin Zhang, Zhaolong Luo, Jun Gao, Sheng Chen, Wentiao Wu, Yexuan Lin, Yihong Zhang, Xinming Qin, Weiyi Wang, Zhiwen Zhuo, Shizhe Jiao, Wei Hu
    Abstract PDF
    Theoretical study of ultrafast electron transfer in Arabidopsis thaliana cryptochrome: A comparative study of mode specific contributions and perturbative methods
    Tianchu Li, Hengyue Zhang, Qiang Shi
    Abstract PDF
    Machine Learning Predicts Accurate Parameters of the Simplified Tamm-Dancoff Approximation Method for Excited-State Calculations
    Sheng-Rui Wang, Dongyi Xiao, Qing-Xin Xiang, Xiangyang Liu, Weihai Fang, Ganglong Cui
    Abstract PDF