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1）Purdue University Lectures on Molecular Dynamics Modeling of Materials Molecular dynamics simulations are playing an increasingly important role in many areas of science and engineering, from biology and pharmacy to nanoelectronics and structural materials. Recent breakthroughs in methodologies and in first principles-based interatomic potentials significantly increased the range of applicability of MD and the accuracy of its predictions even for new materials not yet fabricated or synthesized. Such predictive power indicates that MD has the potential to play a key role in guiding the design and optimization of new materials with improved properties tailored for specific applications. The goal of this short course is to provide an introduction to the theory behind MD simulations, describe some of the most exciting recent developments in the field and exemplify its use in various applications. The short course consists of a brief introduction and three lectures. http://www.nanohub.org/resources/3675/ nanohub相信很多人已不陌生，有非常丰富的视频或者讲义 2）Excellence in Computer Simulation Computational science is frequently labeled as a third branch of science - equal in standing with theory and experiment, and computational engineering is now an essential component of technology development and manufacturing. The successes of computational science and engineering (CSE) over the past two-three decades have been substantial, but at the beginning of a new century, it is useful to reflect on what has been accomplished, on how computational science and engineering are evolving, and on how we can be even more successful in the future. A conversation along these lines has already begun. For example, Leo Kadanoff has encouraged computational experts to move beyond simply verifying experiments and play a more assertive role in leading science [1]. Greg Wilson argues that computational scientists don’t follow practices of documentation and preservation of data that experimentalists expect of themselves [2]. Douglass Post and Lawrence Votta assert that computational science needs a new paradigm [3], and Bradley Shadwick argues that computational science should not be regarded as a third branch of science at all [4]. The objective of this forum was to simply to begin a discussion along these lines within the Network for Computational Nanotechnology (NCN), as we begin to chart our long-term future. IIt was also an opportunity for NCN students to think about how to prepare themselves for careers in CSE. By posting the presentations on the nanoHUB, we also hope to spark a discussion within the broader community of computational experts and others. Excellence in Computer Simulation brought together experts who have made strong contributions to CSE and thought deeply about the field. The one-day event consisted of individual talks followed by short discussions. Each presentation was recorded for dissemination on the nanoHUB to provide a resource for students preparing for careers in science and engineering and to simulate a broader discussion within the NCN and across the national and international research community. https://www.nanohub.org/resources/3617/ 同样也是nanohub的资源，欢迎大家去nanohub淘宝！ 3）MIT的在线课程 Atomistic Computer Modeling of Materials (SMA 5107), Spring 2005 http://myoops.org/cocw/mit/Materials-Science-and-Engineering/3-320Spring-2005/VideoLectures/index.htm MIT有很多开放性课程，相信大家早已熟知 4)Ab Initio Molecular Dynamics Simulation Methods in Chemistry This summer school provides an overview of advanced electronic structure and molecular dynamics methods and their interplay in ab initio molecular dynamics (AIMD) simulations. Theory and practical applications of both density functional theory and wavefunction-based electronic structure methods are included, as well as classical and quantum molecular dynamics. The goal of the school is to provide students with the background necessary to understand and to use AIMD simulation techniques. The school was July 31-August 11, 2006 at the University of Illinois at Urbana-Champaign campus. The summer school lectures are held in the NCSA Building, 1205 W. Clark Street, Urbana. http://www.mcc.uiuc.edu/summerschool/2006/ 这套视频教程10多G，资料非常的齐全，推荐大家收藏，我用迅雷down了两天：-） 5）INTERACTIVE SCIENTIFIC VISUALIZATION Visualization can be used both for presentation of results and interactively for study and research. In these lectures I will concentrate on the interactive uses, with applications to Statistical Physics/Condensed Matter Physics research and Physics education. Topics that I will cover include: COMPUTERIZED VISUALIZATION for TEACHING INTRODUCTION to MOLECULAR DYNAMICS for SOLIDS THREE DIMENSIONAL VISUALIZATION for MOLECULAR DYNAMICS INTRODUCTION to SERIES EXPANSIONS VISUALIZATION for ANALYSIS of SERIES EXPANSIONS http://phycomp.technion.ac.il/~phr76ja/lectures.html 在线讲座，不过年代有点久远了，有兴趣可以看看 6）Bader在Case Western Reserve University的AIM讲座视频 就挂在他的主页上，两个小时，225MB，内容不错 http://www.chemistry.mcmaster.ca/bader/ 7）Gromacs Workshop at CSC http://www.csc.fi/english/research/sciences/chemistry/courses/gmx2007 Gromacs的视频讲座，有著名的Berendsen哦 8）NAMD全部workshop http://www.ks.uiuc.edu/Research/namd/announcements.html UIUC是分子模拟的重镇，他提供的教程和视频资源都是最顶尖的，有兴趣可以看看 注：部分资源收集来源于http://www.mdbbs.org/thread-3658-1-1.html，本人加以整理并加入了一些介绍，欢迎虫子们积极补充！ |
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