Atomic-Scale Simulation MatSE485/Phys466/CSE485

CODES FROM ALLEN & TILDESLEY:
• Allen and Tildesley Code Resources

EXAMPLE APPLICATION & SOFTWARE:
• MD for 2D gas of hard sphere
• Free MD from Keith Refson at Oxford Earth Sciences
• Buffen's Needle Monte Carlo Simulation
  Famous MC estimation of Pi using Applet.
• Buffon's Needle: An analysis and simulation.
• Mike Creutz' Xtoys: xwindow 2-d Simulation toys
• Simple version 2D Ising Model MC Simulation (Applet)
• From Course: Nice version of 2D Ising Model Monte Carlo Simulation using Java Applet
  What happens at T=2.269, above and below this temperature?
• Monte Carlo simulation Applet using a Wolff "cluster" algorithm
  This follows the ideas of Swendsen and Wang.
• Travelling Salesman Problem Simulated Annealing at Carleton Unversity in Canada.
• Travelling Salesman Problem Simulated Annealing in Netherlands
• Bose-Einstein Condensation via Simulated Annealing

TUTORIALS:
Potentials:
Discussion of potentials is the first subject in class. For a general review of potentials
for the solid state, see A.E. Carlsson, Solid State Physics 43, 1 (1990)
• Tutorial on Analytic Potentials and MD Simulations from D.W. Brenner at NCSU
• Potentials   Lecture Notes from Furio Ercolessi at SISSA.
  
  Statistical Mechanics:
• Statistical Mechanics and Thermodynamics Educational Sites,
  maintained by the Univ. of Illinois-Chicago.


Molecular Dynamics:
• MD Primer from Furio Ercolessi at SISSA. There is also some more about Potentials here.


Random Numbers + Monte Carlo:
• Introduction to Random Number Generators by the Computational Science Education Project
• Random Walks, Markov Chains and the MC Method by E. Carter Jr.
• Computational Physics at Carleton University - Tutorials on numerical methods, Monte Carlo simulations of Compton scattering, statistics for physicists, and other topics.
• Java Tutorial by Jan Tobochnik at Kalamazoo.
• Basics of Monte Carlo Simulations by J. Woller at Univ. of Nebraska-Lincoln.
• Introduction to Monte Carlo Methods by the Computational Science Education Project, which is sponsored by the DOE.
• Computer-Aided Drug Design Tutorial by Stuart Green which briefly covers Monte Carlo.
• Live 2D Monte Carlo Simulation by Karl Runge. (Only for X-Windows.)
• Modified Genetic Algorithms for Traveling Salesman Problems


Quantum MC:
• Quantum Monte Carlo Methods by D.M. Ceperley.
  Excellent, succinct descriptions of the principal Quantum MC methods. Postscript lecture notes on variational, diffusion and path-integral Monte Carlo methods.
• (Molecular Quantum) Monte Carlo Methods and Simulation by A. MacKinnon.
  It's part of his Computational Physics Online notes.
• Quantum Monte Carlo and the Penn State Imaginary Particle by D. Drake.


Simulated Annealing and Genetic Algorithms:
• Simulated Annealing is described in the XPLOR Home Page.
• Travelling Salesman Problem using Genetic Algorithms at Erlangen
• XSovler: Simulated Annealing Via Microsoft EXCEL Spreadsheets.
• Artifical Intelligence Lab, Univ. of Arizona , another GA link.
• Genetic Algorithm Archive at Naval Research Lab.
• Skip Carter's Stochastic Methods Page.
• FAQ about Cellular Automata

OTHER SIMULATION LINKS:

• Computational Chemistry at Cooper Union
  Great Resource for Molecular MC and Links.
  Links to some Journals, Tutorials, Software, Papers,...
• Harvey Gould and Jan Tobocknik Simulation Resources
  This book and resources start at a lower level. See Also
• Molecular Modeling at NYU with Prof. Tamar Schlick
• Materials Algorithm Project (MAP) at Cambridge Unversity, UK.
• Center for Materials Simulation at UConn , see, e.g., Software Link.
  XMD: a program for MD Simulation is for download.
  John Rifkin gives a Graduate Materials Simulation course using this.
  There is a nice DOS ATOMDEMO for download.
• Computational Materials Science and Engineering at NCSU
  In particular, Education Link