Computational Methods
This section provides you content for understanding computational science. The content is for studying the basics of, for example, Molecular Dynamics Simulation, Monte-Carlo Simulation, Computational Fluid Dynamics, etc. We also provide simulation tools, resources of programming, and data analysis, which are available freely.
Molecular Dynamics Simulation
This article summarizes the basic features and capabilities of such a simulation, presents a variety of student exercises using it at the introductory and intermediate levels, and describes some enhancements that can further extend its uses. A working simulation code in HTML5 and JAVASCRIPT for running within any modern Web browser is provided as an online supplement available here.
- Basics of MD simulations. This lecture by Mathieu Bauchie introduces the very basics of MD simulations.
Monte Carlo Simulation
Lectures of Prof. Guttag on Monte Carlo simulations, MIT OPenCourseWare. You should know Python or other programming languages to practice this course. Some examples of lectures are:
- Lecture-5: Random Walks (prerequisites)
- Lecture-6: Monte Carlo Simulations
- Lecture-7: Confidence Intervals
Computational Fluid Dynamics
- Computational Fluid Dynamics for Incompressible Flows, Prof. Amaresh Dalal, IIT Guwahati, NPTEL lecture
- Python for CFD. This site provides theoretical explanation and Python codes.
- Introduction to CFD Basics, Rajesh Bhaskaran, Lance Collins.
Fluid Dynamics Simulation (software)
- Flowsquare is a free two-dimensional computational fluid dynamics (CFD) software for unsteady, non-reactive/reactive flows. This software aims to provide a handy CFD environment so that more people can get to know what CFD is like and simulate flows for their educational and/or academic interests.
- OpenFOAM is an open-source software used as a platform to perform steady-state and transient numerical simulation of fluid flow. The tutorials are also available for free.
MEEP: Electromagnetics Simulations
Meep is a free and open-source software package for electromagnetics simulation developed by the Massachusetts Institute of Technology. You can simulate electric/magnetic fields around complex geometries. This advanced numerical simulation can solve Maxwell equations with the set boundary conditions even in the time domain. This page provides tutorials also.
Data Analysis Tools
Numerical programming
SciLab is an open-source programming language for numerical computation similar to Matlab. It is free. You can code for scientific applications such as Data analyses, Numerical calculations, 2D & 3D visualization, Signal processing, Statistics, and Dynamic system modeling.
Image Processing
ImageJ is a JAVA based image analysis software developed by NIH (National Institute of Health) for image processing. There are numerous plugins available for various scientific applications in image processing, for example, in microscopy.
Data analysis
SciDAVis is a free interactive application aimed at data analysis and publication-quality plotting. It combines a shallow learning curve and an intuitive, easy-to-use graphical user interface with powerful features such as scriptability and extensibility.
The software can be used for plotting your data, curve fitting, and further analysis.