Search Results for "research"

MCX is a GPU-accelerated, general-purpose, physically-accurate and feature-rich 3-D light transport simulator. It is one of the fastest simulators because it can use tens of thousands of GPU threads to simulate photons in parallel.

The MetCal/SPA package provides diagnostic resources for users and developers of meteorological apps. The Shared Procedure Archive is a dynamic set of file I/O, analysis routines and APIs for third party packages accessible through the MetCal GUI.

'isotope' is a small command-line utility to calculate the isotope pattern for a given chemical formula. It allows to run calculations interactively, in batch mode, via the command line, or (using a webserver) via a web interface.

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.

Small-angle X-ray scattering (SAXS) in solution is a common low-resolution method which can efficiently complement high-resolution information obtained by crystallography or NMR. Sample monodispersity is key to reliable SAXS data interpretation and model building. Beamline setups with inline high-performance liquid chromatography (HPLC) are particularly useful for accurate profiling of heterogeneous samples. The program DATASW performs averaging of individual data frames from HPLC-SAXS...

QCS is a quantum computer simulation written by Philipp Jungmann, Torsten Mandel and Maximilian Plenert as a software project under Dr. Michael Winckler (IWR) and Dr. Jian-Wei Pan (PI), University of Heidelberg.

The Blue Obelisk Data Repository lists many important chemoinformatics data such as element and isotope properties, atomic radii, etc. including references to original literature. Developers can use this repository to make their software interoperable.

PSI is an open-source program for computing molecular properties using high-accuracy, ab initio, quantum mechanical models.

This site hosts code investigating the role of spatial heterogeneity in biochemical signaling. Motivated by several biological examples, we study the behavior of covalent modification networks when the activating component is localized to a planar membrane in either a random or clustered configuration. Reactions and diffusion are implemented on a three-dimensional lattice.

PDFgetN is a program to process total scattering data obtained on neutron time-of-flight powder diffractometers and to obtain the atomic pair distribution function (PDF).

The Software for Controlling Testing Equipment - has been designed to automate data acquisition and equipment control. Written in Perl, uses the SCPI language to communicate with instruments via RS-232 (serial) or USB ports.

Quaternions are numbers with 4 parts: one for time, three for space.This project creates command line functions that generate thousands of points of quaternions, for the animation software. Think: analytical animation! See VisualPhysics.org examples.

IFEFFIT is a library and set of interactive programs for the analysis of x-ray absorption fine-structure (XAFS) data. IFEFFIT combines state-of-the-art analysis algorithms with graphical display of XAFS data, and general data manipulation. It can be

Thermocouple Scripts. Thermocouples generate a voltage at a given temperature. The relationship isn't simple. There are published tables, but the format can be awkward. This project supplies tools to find, parse, plot, and curve-fit thermocouple data.

GVIB is a user friendly package for vibrational analysis. Given a molecular geometry, it will calculate vibrational frequencies and intensities using anharmonic internuclear potential.

RYUON : many-particle simulation suite

free2bind a suite of general purpose bioinformatics tools for computing the minimum free energy (the most stable) binding between two separate RNA molecules.

This is an extension to the standard 2D HF package (A Numerical Hartree-Fock Program for Diatomic Molecules by Jacek Kobus, Leif Laaksonen and Dage Sundholm) that adds some extra functionality.

A set of PERL scripts that form the basis for a (flexible) lab experiment controlling system. GPIB and RS232 device controlling are planned to be part of the base system and not part of the experiment programming. Research life should be easier this way.

CHIMP aims to provide a complete suite of tools for the investigation and modeling of chemical systems. It currently is able to parse chemical reaction mechanisms and run kinetic Monte Carlo simulations on the reacting system.

bubble_wrap is a suite of programs written in PERL. It takes sensor data from conductive needle probes, impedance probes, or optical fiber probes and produces bubble velocity and local gas hold-up measurements. These probes are typically used to charact

toolbox with information and programs for Computer Aided Innovation The scientific background of Skidbladnir is known as the Theory of Inventive Problem Solving; in English abbreviated as TIPS or TRIZ, in German as TRIS.

The Open Source Space Flight Dynamics (OSSFD) project is intended to provide the community with an open source solution to space flight dynamics.

Pung96's Condor Utils

Magnetostatic finite differences simulation tool based on GNU Octave and a Perl/Tk user interface.