Condensed Matter, AMO & Optics

Language Requirement(s): Bash, Terminal, C++-11 compiler, some modules in Fortran and Python. Usage Requirements: Windows, MacOS, Linux

Large-scale Atomic/Molecular Massively Parallel Simulator. Developed by Sandia National Labortory, LAMMPS allows the user to simulate a wide variety of classical atomic and molecular phenomena in large ensembles. Written in C++; just about any material in any physical state can be simulated.

Contributor: Amelia Binau, Indiana University - Bloomington

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Language Requirement(s): None. Usage Requirements: Windows, MacOS, Linux

This is a program for the modeling of different type of surfaces shaped by various forces and constraints. It is good for simulating different systems such as crystals, gases or liquids under conditions such as gravity, different temperatures, electromagnetic fields, etc. On Ken Brakke's main page there are all the instructions for downloading. Don't worry about the date displayed; the software is still usable.

Contributor: Elvin Cordero Figueroa, IU-Bloomington

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Language Requirement(s): None. Usage Requirements: Windows, MacOS, Linux; any system that supports the OpenGL 3D graphics interface (version 2.1 or newer).

Ovito allows the user to visualize molecular simulations; once you get an output from your simulation of choice, the user can input it into Ovito and it will render the interaction beautifully. Also available is a Python package for Ovito such that its rendering functionality can be seemlessly integrated into any Python-based workflow and visualization in Jupyter notebooks.

Contributor: Anonymous

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Usage Requirements: Access to ImageJ/FIJI is necessary to use this software.

Able to make 2D stitches/overlays of any data set compatible with ImageJ. Optimizes translational overlays in the X and Y directions for a fully cohesive image.

Contributor: Melody Shimba, Brown University

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Language Requirements: Python (optional). Usage Requirements: License or free trial, internet connection

While the full versionn of Mnova not entirely open-source per se (it's available by license or 45-day free trial), Mnova Lite is free for academic use. Mnova is an extremely popular software for visualizing NMR (nuclear magnetic reasonance) data, a technique that transcends subfields. Complete with many tutorials and video walkthroughs and options for automation via scripting using Python.

Contributor: Amelia Binau, Indiana University - Bloomington

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Language Requirement(s): Python. Usage Requirements: Any environment that runs Python.

ASE is a Python-based, often-used package of modules that allows for the control of a variety of atomic simulations referred to as "calculators." Probe the structures and interactions of atoms, molecules, and materials by interfacing popular simulations such as GPAW, LAMMPS, ORCA, and more. Simple examples, such as the absorption of a molecule of nitrogen incident on a copper surface, can be found in the documentation.

Contributor: Amelia Binau, Indiana University - Bloomington

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Language Requirement(s): Python. Usage Requirements: Any environment that runs Python.

Jones calculus meets Python! Use this package to simulate light propagation through optical components described using Jones vectors and matrices. This package also includes functionalities for implementing Mueller calculus, Fresnel coefficient calculations, visualization of vectors on the Poincaré sphere, and ellipsometry.

Contributor: Amelia Binau, Indiana University - Bloomington

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Language Requirement(s): None. Usage Requirements: Internet Connection

Although last updated in 2012, this etensive catalog contains informatio on nearly 5,000 mineral properties, including x-ray powder diffraction data, Strunz classification, specimen images, and more.

Contributor: Amelia Binau, Indiana University - Bloomington

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Usage Requirements: Only need a computer to access the site. Other requirements specifically needed (i.e. Python, Fortran, etc.) will be clarified by the program or data set you are looking to use.

Contains a database of past and current resources employed by crystallographers. Has forums, blogs, data analysis programs, data sets, and more.

Contributor: Melody Shimba, Brown University

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Usage Requirements: Internet Connection

Created by researchers at Cambridge, DoITPoMS hosts a library of materials in fundemental-advanced materials sciences. Browse learning/teaching resources, simulations, and a collection of micrographs. Browse a library of hundreds of micrographs, web-based simulation interactives, instructional videos, learning demonstration packages (LDPs), teaching packages, and more ranging from topics involving microscopy, crystallography, Brillouin zones, phase diagrams, semiconductors, superconductivity, deformation, polymers, and more.

Amelia Binau, Indiana University - Bloomington

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