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Scientific Research
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Linear-scaling selected inversion based on hierarchical interpolative factorization for self green’s function for modified Poisson-Boltzmann equation in two dimensions.Journal of Computational Physics.2022
A Kernel-Independent Sum-of-Exponentials Method.JOURNAL OF SCIENTIFIC COMPUTING.2022
A random batch Ewald method for charged particles in the isothermal-isobaric ensemble.Journal of Chemical Physics.2022
Superscalability of the random batch Ewald method.JOURNAL OF CHEMICAL PHYSICS.2022
HSMA: An O(N) electrostatics package implemented in LAMMPS.Computer Physics Communications.2022
Improved Random Batch Ewald Method in Molecular Dynamics Simulations.JOURNAL OF PHYSICAL CHEMISTRY A.2022
A random-batch Monte Carlo method for many-body systems with singular kernels.SIAM J. Sci. Comput..2020
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RBE快速模拟算法开发及其在FEP计算中的应用
面向药物设计的分子动力学高效算法和软件开发
中组部青年拔尖人才计划
离子通道静电场的快速算法与模拟
生物和胶体中的库仑多体系统:算法,建模与模拟
复杂带电粒子体系的快速算法研究
致远数学科学中心
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