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Dan Gezelter

Dan Gezelter

Theoretical Chemist & Director of The OpenScience Project
BlogBlog
Why aren’t voting machines required to be Open Source? - http://www.openscience.org/blog...
Building and Installing OpenMD 2 - http://openmd.net/?p=198
How does it compare to, for example, GROMACS? - Egon Willighagen
We do some things that GROMACS doesn't do - notably metallic force fields, atoms with orientational degrees of freedom, some non-equilibrium MD methods, some real-space electrostatic methods. That said, GROMACS is incredibly fast and very widely used, so I have a lot of respect for that code and the people who work on it. - Dan Gezelter
Data visualization and Digital Research tools - http://www.openscience.org/blog...
Am I crazy for considering sqlite3 as a storage medium for molecular dynamics trajectory data? Does anyone else do this?
Short-term OpenScience consulting gig with the American Heart Association: http://www.openscience.org/blog...
Paging Michael Nielsen? Daniel Mietchen? MrGunn? - Bill Hooker
I left them a note inquiring whether they would be willing to give an open science spin to the consultancy. For instance, we could define the criteria for the individual points collaboratively, and this could then serve as the basis for other organizations that might consider getting their feet wet in this area as well. - Daniel Mietchen
Their response required clarification as to what I had in mind with "adding an open science component to the project", and I replied "What I had in mind was that the consultant could in principle gather the required information in public, such that (a) others can join in the drafting, or at least comment on it and (b) others can reuse the information." I also submitted a formal expression of interest. - Daniel Mietchen
Reply just came in: "I wanted to let you know that we have hired a consultant whose experience was a better match for our needs at this time." - Daniel Mietchen
I'll be interested to see who that person is. - Bill Hooker
New Neal Stephenson and Vernor Vinge books arrived simultaneously. Which to read first?
Open Science consulting gig with the American Heart Association - http://www.openscience.org/blog...
Is this Keith Nelson's attempt to get on the Colbert Report? http://rsi.aip.org/resourc...
Overly confident scientific quote of the day - http://www.openscience.org/blog...
A Storm of Swords (A Song of Ice and Fire, #3) - http://www.goodreads.com/review...
A Storm of Swords (A Song of Ice and Fire, #3) - http://www.goodreads.com/review...
Physical Chemistry: A Molecular Approach - http://www.goodreads.com/review...
Physical Chemistry: A Molecular Approach - http://www.goodreads.com/review...
A Clash of Kings (A Song of Ice and Fire, #2) - http://www.goodreads.com/review...
A Clash of Kings (A Song of Ice and Fire, #2) - http://www.goodreads.com/review...
A Game of Thrones (A Song of Ice and Fire, #1) - http://www.goodreads.com/review...
A Game of Thrones (A Song of Ice and Fire, #1) - http://www.goodreads.com/review...
An informal definition of OpenScience - http://www.openscience.org/blog...
Thoughts that occupy us during a power outage: Just how much dry ice is required to blow the door off my freezer?
The Art of Molecular Dynamics Simulation - http://www.goodreads.com/review...
The Art of Molecular Dynamics Simulation - http://www.goodreads.com/review...
An older article, but a wonderful description of "Newton's Flaming Laser Sword": http://school.maths.uwa.edu.au/~mike...
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