Author Archives: Dan Gezelter

SimThyr, a numerical simulator of thyrotropic feedback control for education and research

SimThyr is a simulation program for the pituitary thyroid feedback control that is based on a parametrically isomorphic model of the overall system. Applications of this program cover research, including development of hypotheses, and education of students in biology and … Continue reading

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Posted in Medical Sciences, Physiology | Leave a comment

The Up-Goer Five Research Challenge

I thought this was silly at first, but after struggling to do it for my own research, I now think it can be a profound exercise that scientists should attempt before writing their NSF broader impact statements. Here’s the challenge: … Continue reading

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Posted in education, Fun, Science | 2 Comments

DuMuX

DuMuX, DUNE for multi-{phase, component, scale, physics, …} flow and transport in porous media, is a free and open-source simulator for flow and transport processes in porous media. It is based on the Distributed and Unified Numerics Environment DUNE, dune-project.org. … Continue reading

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Posted in Engineering | Leave a comment

mMass – Open Source Mass Spectrometry Tool

mMass is designed to be feature rich, yet still easy to use. Stay focused on your data interpretation, not on the software. *Supports multiple formats (mZML, mzXML, mzData, MGF, ASCII and copy-Past from clipboard) *Various data processing tools avalaible (Proteomics, … Continue reading

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Posted in Analytical | Leave a comment

OpenChrom

OpenChrom is an open source software for chromatography and mass spectrometry based on the Eclipse Rich Client Platform (RCP). Its focus is to handle mass spectrometry systems (e.g. GC/MS, LC/MS, Py-GC/MS, HPLC-MS) data files natively. OpenChrom is able to import … Continue reading

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Overture – A C++ toolkit for Solving PDEs in Complex Geometries

This looks useful!   The partial differential equations (PDEs) we solve in my lab are the equations of motion for atoms in molecular dynamics.  These are relatively easy to integrate numerically.  Lots of labs work with harder PDE problems  (like … Continue reading

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SASSIE – Create atomistic models from Small Angle scattering data

Here’s a neat bit of “bridge” or “glue” software for today – SASSIE is a python-based suite for creating atomistic models of molecular systems in order to compare those models directly to data from small-angle X-ray scattering (SAXS) and small-angle … Continue reading

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Posted in Science, Software | 1 Comment

Jmol goes JavaScript

About 10 years ago, I turned the Jmol project over to a series of fantastic lead developers (Jmol programmers regenerate in different bodies just like Doctor Who does).  Since then, the aspect of the new work on Jmol that has … Continue reading

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Posted in open science, Science, Software | Leave a comment

Octopus – A cool open source TDDFT code

I just found out about Octopus, a quantum mechanics package that does time-dependent density functional theory (TDDFT) calculations using pseudopotential approximations. It works in parallel using MPI and OpenMP and scales to tens of thousands of processors. It also has … Continue reading

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Posted in open science, Science, Software | 3 Comments

Why aren’t voting machines required to be Open Source?

If ever there was a need for the transparency that open source software brings it is in the realm of voting machine technology.    This story makes that point crystal clear.   There may or may not be shenanigans going on in … Continue reading

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Posted in Policy, Software | Leave a comment