Introduction to Molecular Dynamics Simulation (介绍了分子动力学模拟).pdf,Phases Experimental P s l Results g Intermolecular Complex Fluid potential T (real system) Test model Structure v(r) g(r) Simulation Make model Results r r Complex Fluid Test the
经典的分子动力学模拟计算(Molecular Dynamics Simulation)以分子体系为对象,依据力场和牛顿运动定律,是一种简单实用的计算方法。由于计算机的快速发展, 现今的分子动力学模拟已可计算高达百万个分子的体系,被广泛应用于研究医学、生化、材料、高分子、溶液、表面吸附等问题。分子动力学仿真方法除了能获得静态的结构数据外,...
M. P. Allen.Introduction to Molecular Dynamics Simulation.Computational Soft Matter: From Synthetic Polymers to Proteins. 2004Allen, M.P., 2004. Introduction to molecular dynamics simulation. In: Attig, N., Binder K., Grubmuller H., Kremer K. (Eds.), Computational Soft Matter: From ...
A Practical Introduction to the Simulation of Molecular Systems 分子系统模拟的实用导论by Martin J. Field (Author) Molecular simulation is a powerful tool in materials science, physics, chemistry and biomolecular fields. This updated edition provides a pragmatic introduction to a wide range of techniq...
Dynamics of Finite Dust Clusters.- Statistical Theory of Spherically Confined Dust Crystals.- PIC-MCC Simulations of Capacitive High-Frequency Discharge Dynamics with Nanoparticles.- Molecular Dynamics Simulation of Strongly Correlated Dusty Plasmas.- Reactive Plasmas, Plasma-Surface Interaction, Technological...
The memory of the initial state after a quench, as well as the fact that all local observables equilibrate to a given finite value at long-times, is also deduced from the overlap of such observables with the conserved operators τiz. What about dynamics towards these equilibration values?
An introduction to biomolecular simulations and docking. Mol Simul 2014;40:732-64.Mura C, McAnany CE (2014) ... Charles,E.,McAnany,... - 《Molecular Simulation》 被引量: 0发表: 2014年 Molecular dynamics simulations of biomolecules Molecular dynamics simulations are important tools for ...
In fact the relativistic-like behavior originates from the particular honeycomb lattice structure that gives rise to a “momentum–isopin” coupling (“p.σ” term in the Hamiltonian). As a consequence, the isospin σ involved in the relativistic dynamics is the sublattice index, and not the...
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This chapter gives a general introduction to the fabrication processes and materials commonly used in MEMS/NEMS, as well as a discussion of the application of experimental mechanics techniques to these devices. Mechanics issues that arise in selected example devices are also presented. ...