http://www.courses.physics.helsinki.fi/fys/md/ 赫尔辛基大学 分子动力学 课程 Molecular Dynamics 2012 Course #: 53363, Fall 2012 Department of Physics , University of Helsinki Course exam Tuesday, 11 December, 2012 at 10.00-14.00, Physicum E207 Results of the course at WebOodi Prerequisites Some knowledge of programming will be immensely helpful during the course, preferably in Unix/Linux environment. In addition, the students should have basic knowledge of the structure of matter and thermodynamics. The course is a part of the MoMoNano Master's programme. The teaching is hence given in English. Summary Lecturer: Dr. Olli Pakarinen olli.pakarinen(-at-)helsinki.fi Assistant: M.Sc. Andrey Ilinov andrey.ilinov(-at-)helsinki.fi This course is a 10 ECTS credit points course on atomistic simulations. We will concentrate on molecular dynamics simulations (MD) which enable following the evolution of a system of point-like objects over time. During the course, students will write in a supervised manner their own MD code which can be used to model atomic motion in simple metals. The course will also cover genetic algorithm and conjugent gradient energy minimization as well as the nudged elastic band (NEB) method for migration energy barrier calculations. Quantum mechanical and classical atomic interaction models will be covered, main stress being on classical methods. Visualization and analysis methods of atomic data are also discussed. Application examples Modification of nanomaterials by ion irradiation Carbon nanomaterials Biophysics and Biochemistry
http://atom.physics.helsinki.fi/suomi/laskfys/index_en.html 其中 Introduction to electronic structure simulation, 5 op http://tfy.tkk.fi/~asf/physics/lectures/
赫尔辛基MD教程 http://www.helsinki.fi/nanocarbon/courses/md2011/ 2011版为最近的完整教程 2012 Fall 课程正在进行 http://beam.acclab.helsinki.fi/~knordlun/atomistiset/ Introduction to atomistic simulations 2003 / Johdatus atomistisiin simulointeihin 2003 Prerequisites: Knowledge of the basics of programming and the Unix environment, the structure of matter and thermodynamics. The course is also suited to chemists. Contents: Visualization and animation of atomic data. Molecular dynamics simulations, which enable following the motion of a set of pointlike objects (typically but not necessarily atoms). During the course, the students get to write in a supervised manner their own molecular dynamics code, capable of simulating atom motion in simple metals. Genetic algorithm and conjugate gradient energy minimization of atomic systems. Overview of quantum mechanical and classical models of atomic interaction, and a detailed description of modern classical force models for metals, semiconductors, ionic and organic materials. Literature: Lecture notes. Requisite background information: The basics of programming and the Unix environment. Basic knowledge of the structure of matter and thermodynamics. http://www.physics.helsinki.fi/courses/s/atomistiset/ Introduction to atomistic simulations / Johdatus atomistisiin simulointeihin 2008 http://www.physics.helsinki.fi/courses/s/atomistiset/lecturenotes/ 2008教程分章节版本 Prerequisites: Programming skills in C or Fortran90/Fortran95 preferably in the Unix environment; basics of the structure of matter and thermodynamics. The course is also suited to chemists. Contents: Visualization and animation of atomic data. Molecular dynamics simulations, which enable following the motion of a set of pointlike objects (typically but not necessarily atoms). During the course, the students get to write in a supervised manner their own molecular dynamics code, capable of simulating atom motion in simple metals. Genetic algorithm and conjugate gradient energy minimization of atomic systems. Overview of quantum mechanical and classical models of atomic interaction, and a detailed description of modern classical force models for metals, semiconductors, ionic and organic materials. http://www.courses.physics.helsinki.fi/fys/md/ Molecular Dynamics 2012 Prerequisites Some knowledge of programming will be immensely helpful during the course, preferably in Unix/Linux environment. In addition, the students should have basic knowledge of the structure of matter and thermodynamics. The course is a part of the MoMoNano Master's programme. The teaching is hence given in English. This course is on atomistic simulations. We will concentrate on molecular dynamics simulations (MD) which enable following the evolution of a system of point-like objects over time. During the course, students will write in a supervised manner their own MD code which can be used to model atomic motion in simple metals. The course will also cover genetic algorithm and conjugent gradient energy minimization as well as the nudged elastic band (NEB) method for migration energy barrier calculations. Quantum mechanical and classical atomic interaction models will be covered, main stress being on classical methods. Visualization and analysis methods of atomic data are also discussed. Ideas for essay/presentation Early MD (first few publications on the method and on its use) Molecular dynamics for stars and galaxies, see f.ex. Annu. Rev. Astron. Astrophys. 25, 151 New J. Phys. 10, 125002 (2008) Monthly Notices of the Royal Astronomical Society 364, 1105 (2005) MD for protein folding (f.ex. Annu. Rev. Phys. Chem. 58, 57-83 (2007) MD of biomolecules (f.ex. Nature Structural Biology 9, 646 (2002) Fitting parameters of a potential and applications where it has been used MD of brittle fracture in Si (Nature 455 (30), 1224 (2008)) Self-diffusion in Si (Nuclear Instruments and Methods in Physics Research B 102, 247–255 (1995)) Pattern formation by energetic particle irradiation (Nature Communications 2, 276 (2011)) Additional reading Allen and Tildeslay, Computer Simulation of Liquids , Oxford University Press (1987) Frenkel and Smit, Understanding Molecular Simulation , Academic Press (2001) Ercolessi, A molecular dynamics primer , http://www.fisica.uniud.it/~ercolessi/md/md/ 赫尔辛基MD教程
3-SAT问题很简单，表达起来。3-SAT问题可以很难，尤其是想证明一个公式不可能满足的话。 说起来容易，做起来难啊。 希望能够用随机搜索的方法，对一个特定的3-SAT公式，找到一些该公式不可能满足的证据。如果能够对约束密度为常数的随机3-SAT公式有好的效果，那将很有趣。 2011年5月5日，赫尔辛基 终于将第一篇论文贴到arXiv上去了： “ Witness of unsatisfiability for a random 3-satisfiability formula”, Lu-Lu Wu, Hai-Jun Zhou, Mikko Alava, Erik Aurell and Pekka Orponen (arXiv:1303.2413, 2013) http://arxiv.org/abs/1303.2413 ...2013年3月11日，香港
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