NMR Product Operator Calculator
The program does nmr product operator calculations for one, two, three and four spins. Receiver phase cycling is possible in conjunction with pulse phase cycling to simulate coherence pathway selection. An extensive manual and help files are included. Currently running under Linux and Windows.
NMR spin dynamics simulation
Insensitive (Incredible Nuclear Spin EvolutioN SImulation Tool Intended for Visual Education) is an application to simulate the NMR experiment based on the quantum mechanical density matrix formalism. It is available for Mac OS X 10.6 and above and iOS 5.1.1 and above. Please refer to the paper published in Concepts In Magnetic Resonance, 2011, 38A (2), 17-24.
Large-scale Atomic/Molecular Massively Parallel Simulator
LAMMPS is a classical molecular dynamics simulator designed for parallel machines. It can model atomic, polymeric, biological, metallic, or mesoscale systems using a variety of force fields and boundary conditions and is easy to modify or extend.
An all-electron full-potential linearised augmented-planewave (FP-LAPW) code. Designed to be as developer friendly as possible so that new developments in the field of density functional theory (DFT) can be added quickly and reliably.
The Home of DMSFT, AAFFT, GFFT, and MSFFT.
A collection of sparse Fourier transform codes developed by faculty at MSU. Currently codes for four different prototype sparse FFTs are here: 1.) DMSFT, implemented by Ruochuan Zhang. This is a fast, stable, noise robust, and *fully discrete* improvement on the ideas in GFFT below. It is THE BEST sparse FFT around!!! If you're looking for AAFFT, try this out first. 2.) AAFFT, implemented by Mark Iwen in 2008. This code is easy to use, and documented well, but not implemented very efficiently. It is much slower than it should be. 3.) GFFT, implemented by Ben Segal and Mark Iwen. This code is less easy to use, and also not terribly efficient. But, the *algorithm* itself is significantly simpler and has "essentially no parameters". 4.) MSFFT, implemented by David Lawlor and Bosu Choi. This code is fast, but is not terribly easy to use. The algorithm is robust to some noise, but requires a lot of parameter tuning. Enjoy at your own risk :), Mark Iwen
Advanced numerical instruments: adaptive meshing, FE methods, solvers
Ani3D provides portable libraries for each step in the numerical solution of systems of PDEs with variable tensorial coefficients: (1) unstructured adaptive mesh generation, (2) metric-based mesh adaptation, (3) finite element discretization and interpolation, (4) algebraic solvers.
J-ICE stands for Jmol interface for crystallographic and electronic properties. Is an extension of the powerful, platform independent molecular visualizer Jmol, towards crystallographic and electronic properties. More info will be given soon.
Grid-based Coupled Electron and Electromagnetic field Dynamics (GCEED) is an open-source software package for massively parallel first-principles calculations of electron dynamics in real time and real space. The program codes are written in the Fortran 90/95 language with MPI and OpenMP. Time dependent density functional theory (TD-DFT) calculations can be performed on 100,000 CPU cores of K Computer with high parallel efficiency.
Motofit co-refines Neutron and X-ray reflectometry data, using the Abeles matrix / Parratt recursion and least squares fitting (Genetic algorithm or Levenberg Marquardt). It works in the IGOR Pro environment (TM Wavemetrics).
Multithreaded N-Point Gravity Simulation for PC and Android
Create a sun, spin some asteroids around it, and watch them collide and form planets. An N-Point Gravity Simulator is a realistic simulation in which all points attract each other: even the smallest asteroid has its own gravitational field that can affect even a large sun far away from it. Can be reused as a library for making games. If used as library, license is GNU LGPLv3, otherwise it's GNU GPLv3.
A free, industrial quality library for simulating articulated rigid body dynamics - for example ground vehicles, legged creatures, and moving objects in VR environments. It's fast, flexible & robust. Built-in collision detection.
peak-o-mat is a curve fitting program aimed at the fast and easy fitting of spectroscopic data, especially if you face a large amount of similar spectra.
newbpotcoul: CI-based nanoelectronic device simulation package
newbpotcoul: CI-based nanoelectronic device simulation package. Copyright (c) 1995-2011 by Klaus Michael Indlekofer. All rights reserved. Note: Special restrictions apply. See disclaimers below and within the distribution. (We are not affiliated in any way with companies/persons mentioned above. All brand names and trademarks are property of their respective owners.)
whiskersim: MCSCG-based nanowire device simulation package
whisker: MCSCG-based nanowire device simulation package. Copyright (c) 1995-2011 by Klaus Michael Indlekofer. All rights reserved. Note: Special restrictions apply. See disclaimers below and within the distribution. (We are not affiliated in any way with companies/persons mentioned above. All brand names and trademarks are property of their respective owners.)
OFELI (Object Finite Element LIbrary) is a library of finite element C++ classes for multipurpose development of finite element software. It is intended for teaching, research and industrial developments as well.
sandbox particle simulator that obeys schrödinger's equation
Enjoy bizarre Quantum Mechanics animations by throwing a 2D particle in arbitrary environments. There is infinite freedom in customizing the potentials: draw out absurd terrains, or opt for standard experiments such as double-slit. The project's purpose is to aid the user in building intuition for the peculiar workings of the quantum realm. As such, it aims to be user-friendly and does not require prior knowledge of QM. Currently only available for macOS and Windows users (Linux version will be uploaded in the future). Created with Qt and OpenGL.
Calculation of radiation view factors by adaptive integration. A cross-platform port of the public-domain code by George Walton.
QtCDB is software for Coincidence Doppler Broadening
QtCDB is software for Coincidence Doppler Broadening measurement system using Adlink PCI-9820 DAQ card. Code is written in C++ using Qt and Qwt library
A electric, magnetic, and gravity field physics presentation program
BeamFlow is a scientific presentation and demonstration program for typical introductory physics problems involving electric, magnetic, and gravity fields in three dimensions. Real-time demonstration of the magnetic field around a wire, the gravity fields around rotating binary stars, and the electric field from multiple point charges are just some of the potential applications.
The aim of our project is to develop a simulation system to calculate the measurement uncertainty corresponding to the 'Guide To The Expression Of Uncertainty In Measurement' (GUM).
Seer is a multipurpose data analysis package for Monte Carlo data.
Seer is a multipurpose data analysis package for Monte Carlo simulation data, particularly for collider physics processes. Seer reads LHCO files and performs a variety of cuts and analyses on the data for either exploratory data analysis or reproduction of experimental studies.
QNANWidgets is a collection of science/engineering oriented Qt Widgets to help in creating sci/eng. applications and include a chart and plot widget. The widgets are easy to use and can be customized in Qt Designer directly.
Parallel coupled multiphysics simulation application
Rocstar is a multiphysics simulation application designed to do fluid-structure interaction (FSI) across moving, reacting interfaces. Rocstar couples multiple domain-specific simulation packages and disparately discretized domains and provides several simulation-supporting services including conservative and accurate data transfer, surface propagation, and parallel I/O. Rocstar is MPI parallel and routinely executes large simulations on massively parallel platforms. Rocstar was originally developed at the University of Illinois Center for Simulation of Advanced Rockets (CSAR) under Department of Energy ASCI funding. Ongoing development of Rocstar is conducted by Illinois Rocstar LLC with company IR&D and continued DOE SBIR funding.
Python Gnuplot interface
gplot is a python an interface to directly plot scientific graphs using gnuplot. The API aims to be similar to matplotlib, to make it possible to port simple code easily between both modules. Heighlights (planned): - Pure python, no compiled modules - The only prerequisites are gnuplot, python and numpy - Interactive plotting with any number of figures/graphs - Directly usable GUI widgets for QT4, GTK an WxWidgets
LIME is a software tool for creating multiphysics simulation codes.
The Lightweight Integrating Multiphysics Environment for coupling codes (LIME) is a small software package for creating multiphysics simulation codes. LIME is intended to be especially useful when separate computer codes (which may be written in any standard computer language) already exist to solve different parts of a multiphysics problem. LIME provides the key high-level software (written in C++), a well defined approach (with example templates), and interface requirements to enable the assembly of multiple physics codes into a single coupled-physics simulation code. To achieve its flexible lightweight design objectives, LIME 1.0 requires that some amount of customized software be written each time a new multiphysics application is created. Also, modest high-level revisions or modifications to most stand-alone physics codes may be required to meet interface requirements. Detailed descriptions of these requirements together with example cases are provided in a users guide.