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
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 ...
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,...
We present an introduction to the chemical and computational aspects of the molecular dynamics (MD) simulation technique. Using just a few elementary ideas from classical mechanics and numerical analysis, and linear chains of identical particles as example systems, we take the reader through the steps...
摘要: Software accompanying the book: 'Introduction to Molecular Simulation and Statistical Thermodynamics'. For more detail on how to use the data and software, please consult the description.pdfDOI: 10.1051/proc:072226 被引量: 5 年份: 2016 ...
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...
11-Basics of Molecular Dynamics Simulations 31:30 12-LAMMPS Workshop 2019 - Week 1 2:03:33 13-Intro to Molecular Dynamics Simulation using LAMMPS 1:42:51 【全男版·甄嬛传番外】“我从未觉得哥哥已经死去,他一直活着,活在皇上永恒的思慕之中” 51.1万播放2...
Computational Materials Science || Molecular Dynamics Introduction.- Density Functional Theory and the Full-Potential Local-Orbital Approach.- Methods for Band Structure Calculations in Solids.- A Solid-State ... Raabe,Dierk 被引量: 0发表: 1998年 A molecular dynamics simulation study of inclusion si...
Introduction The molecular dynamics simulation technique has recently proved to be a suitable alternative approachfor simulation of vibrational spectroscop... ZY Xiao - 《Chinese Chemical Letters》 被引量: 16发表: 1993年 加载更多来源图书 Vibrational Mechanics:Nonlinear Dynamic Effects, General Approach, ...
There is a brief introduction to the principle of causality and there are discussions of the Kramers-Konig relations and the ... M Fabrizio,A Morro - Oxford University Press 被引量: 161发表: 2003年 Molecular Simulation of Disjoining-Pressure Isotherms for Free Liquid, Lennard-Jones Thin Films ...