Monthly Archives: February 2010

Packmol

One of the biggest issues you face when you first start doing molecular dynamics (MD) simulations is how to create an initial geometry that won’t blow up in the first few time steps. Repulsive forces are very steep if the … Continue reading

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Posted in open science, Science, Software | 13 Comments

Gwyddion – Open Source SPM analysis

We just discovered a very cool open source program for analyzing scanning probe microscopy (SPM) data files. There a number of incompatible and proprietary file formats for surface microscopies (AFM, MFM, STM, SNOM/NSOM) and getting data out from a microscope … Continue reading

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Open Science on “Future Tense”

Yesterday’s “Future Tense” radio program on Australian Broadcasting was just posted online. The topic was Open Science, and I managed to get interviewed for the show. The interview with Anthony Funnell was a great conversation, and he’s pulled out some … Continue reading

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If you’re going to do good science, release the computer code too

A very nice aarticle by Darrel Ince has just been posted over at the Guardian. It deals with the climate-gate email theft and the quality of academic science code has just been . An excerpt: Computer code is also at … Continue reading

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Posted in open science, Science, Software | 1 Comment