A program to find frequent molecular substructures and discriminative fragments in a database of molecule descriptions. The algorithm is based on the ...
1． 对薄膜形成与生长中相关物理过程及现象进行分析和建模。 2． 利用蒙特卡罗（Monte Carlo）方法和分子动力学（Molecular Dynamics）方法对薄膜形成与生长过程进行计算机模拟。 3． 对多孔硅形成的模拟。...
Molecular Dynamics and its Applications from Biochemistry and Biophysics...
TimeIntegrationMethods usin Molecular Dynamics...
The program md.f implements a simple molecular dynamics simulation in continuous real space. The velocity Verlet algorithm is used to implement the ti...
