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分子动力学模拟程序MOLDY -molecular dynamics simulation MOLDY
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VASP is a complex package for performing ab-initio quantum-mechanical molecular dynamics (MD) simulations
using pseudopotentials or the projector-augmented wave method and a plane wave basis set.
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gaussian is a complex package for performing ab-initio quantum-mechanical molecular dynamics (MD) simulations
using pseudopotentials or the projector-augmented wave method and a plane wave basis set.
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This project was created in Dev C++ (GUI). Programme demonstrates reflecting hard spheres. This can be applied in molecular dynamics.
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材料科学，自组装的粗粒化分子动力学模拟，原理、文献综述、国外最新研究成果-Coarse-grained Molecular Dynamics Simulation of Self-Assembling
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Stress Strain in Molecular Dynamics
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运用扩展有限元法解决多尺度断裂问题，可以用来解决复杂的微观，宏观裂纹夹杂问题- a method to couple a three-dimensional continuum domain to a molecular dynamics domain to simulate
propagating cracks in dynamics. The continuum domain is treated by an extended finite element method to handl
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Molecular dynamics simulations of the adsorption of polymer chains on graphyne and its family-Molecular dynamics simulations of the adsorption of polymer chains on graphyne and its family
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