[O] org in the wild update

2014-02-08 Thread Marvin Doyley
Hi John,

Org have also revolutionized the way I work. I  use it for teaching (making 
slides, creating homework and exams),  presentation, and in a couple of weeks 
we will be submitting our first org generated manuscript. In general,  works 
great for me, but for the students and my assistant  that have been another 
story. I would be interested to learn how you (a) cultivated an org centered 
culture in your lab, and (b) established an org based research environment 
(i.e., file sharing, org equivalent of track changes, etc. ).  

Best Wishes,
 M


Sent from my iPad


Re: [O] org in the wild update

2014-02-08 Thread John Kitchin
This has been an ongoing process for the past 3 years that started with me
learning org-mode to manage my todo list.  Most of my students have taken
a  class with me, where they already had some familiarity with emacs, and
in which I use org-mode for the assignments. Some of them took to it like
fish in water. A few have not drunk the water, and are thirsty as a result
;) For track changes, I use git, and look at diffs when needed.

I have had to train my students to prepare simple documents, e.g. org
documents, that grow in sophistication over time.  I generally provide a
lot of support for this, through my blog (http://kitchingroup.cheme.cmu.edu),
and in meetings. I am certain my students are tired of hearing answers to
their questions that start with I wrote a blog post that explains... But
they probably realize they get faster and better feedback when they send me
org docs. I am working towards a set of emacs packages for my group that
will streamline manuscript preparation, and communication.

For file sharing there are two main approaches we use. 1) Part of my group
is computational and we all have accounts on a shared cluster. We share
some documents there. 2) PArt of my group does experimental research. We
use Dropbox too. I have a folder for each student that is shared with them.
Each student has an org-file that outlines their current research projects
and priorities. We use this document to guide our meetings. These documents
are on my agenda list so I know what should be done and by when. And the
students know it too. This is also how we coordinate manuscripts.

Manuscripts are a primary learning experience. Our supporting information
files are routinely 20-100 pages long now because I make my students put
comprehensive detail about what they did in them. Partly so I can be sure
of what they did, and partly for others to learn from.

So, it is still ongoing. The only alternative I am offering my group to
org-mode is LaTeX. They usually make a wise choice ;)




John

---
John Kitchin
Associate Professor
Doherty Hall A207F
Department of Chemical Engineering
Carnegie Mellon University
Pittsburgh, PA 15213
412-268-7803
http://kitchingroup.cheme.cmu.edu



On Sat, Feb 8, 2014 at 7:12 AM, Marvin Doyley m.doy...@rochester.eduwrote:

 Hi John,

 Org have also revolutionized the way I work. I  use it for teaching
 (making slides, creating homework and exams),  presentation, and in a
 couple of weeks we will be submitting our first org generated manuscript.
 In general,  works great for me, but for the students and my assistant
  that have been another story. I would be interested to learn how you (a)
 cultivated an org centered culture in your lab, and (b) established an org
 based research environment (i.e., file sharing, org equivalent of track
 changes, etc. ).

 Best Wishes,
  M


 Sent from my iPad


Re: [O] org in the wild update

2014-02-08 Thread Marvin Doyley
Hi John,
 I really appreciate your input. I think my first challenge will be to 
encourage them to learn emacs. I switch from Vi to emacs five years ago after 
watching  Carsten google talk online.
Best Wishes,
M

Sent from my iPad

 On Feb 8, 2014, at 4:28 PM, John Kitchin jkitc...@andrew.cmu.edu wrote:
 
 This has been an ongoing process for the past 3 years that started with me 
 learning org-mode to manage my todo list.  Most of my students have taken a  
 class with me, where they already had some familiarity with emacs, and in 
 which I use org-mode for the assignments. Some of them took to it like fish 
 in water. A few have not drunk the water, and are thirsty as a result ;) For 
 track changes, I use git, and look at diffs when needed.
 
 I have had to train my students to prepare simple documents, e.g. org 
 documents, that grow in sophistication over time.  I generally provide a lot 
 of support for this, through my blog 
 (http://kitchingroup.cheme.cmu.edu[kitchingroup.cheme.cmu.edu]), and in 
 meetings. I am certain my students are tired of hearing answers to their 
 questions that start with I wrote a blog post that explains... But they 
 probably realize they get faster and better feedback when they send me org 
 docs. I am working towards a set of emacs packages for my group that will 
 streamline manuscript preparation, and communication. 
 
 For file sharing there are two main approaches we use. 1) Part of my group is 
 computational and we all have accounts on a shared cluster. We share some 
 documents there. 2) PArt of my group does experimental research. We use 
 Dropbox too. I have a folder for each student that is shared with them. Each 
 student has an org-file that outlines their current research projects and 
 priorities. We use this document to guide our meetings. These documents are 
 on my agenda list so I know what should be done and by when. And the students 
 know it too. This is also how we coordinate manuscripts. 
 
 Manuscripts are a primary learning experience. Our supporting information 
 files are routinely 20-100 pages long now because I make my students put 
 comprehensive detail about what they did in them. Partly so I can be sure of 
 what they did, and partly for others to learn from.
 
 So, it is still ongoing. The only alternative I am offering my group to 
 org-mode is LaTeX. They usually make a wise choice ;)
 
 
 
 
 John
 
 ---
 John Kitchin
 Associate Professor
 Doherty Hall A207F
 Department of Chemical Engineering
 Carnegie Mellon University
 Pittsburgh, PA 15213
 412-268-7803
 http://kitchingroup.cheme.cmu.edu[kitchingroup.cheme.cmu.edu]
 
 
 
 On Sat, Feb 8, 2014 at 7:12 AM, Marvin Doyley m.doy...@rochester.edu wrote:
 Hi John,
 
 Org have also revolutionized the way I work. I  use it for teaching (making 
 slides, creating homework and exams),  presentation, and in a couple of 
 weeks we will be submitting our first org generated manuscript. In general,  
 works great for me, but for the students and my assistant  that have been 
 another story. I would be interested to learn how you (a) cultivated an org 
 centered culture in your lab, and (b) established an org based research 
 environment (i.e., file sharing, org equivalent of track changes, etc. ).
 
 Best Wishes,
  M
 
 
 Sent from my iPad
 


[O] org in the wild update

2014-02-06 Thread John Kitchin
Hi everyone,

Our fourth scientific paper that was prepared with org-mode has been
accepted!  Each of these files has freely available supporting information
files created from org-mode with the org-source embedded in them. At the
end of these files are the directions for how we exported the pdf file out
of them. It has been pretty fun writing these papers, and we are at a point
now where all new papers are written this way in my group. Below are some
of the (org-relevant) features in each paper. Anyway, I want to thank
everyone who contributes to org-mode development. It has fundamentally
changed how we write our papers. Best wishes,

1. This paper has an embedded json file that contains all the data in the
paper and the details of the calculations we did.

Mehta, Prateek; Salvador, Paul; Kitchin, John, *Identifying Potential BO2
Oxide Polymorphs for Epitaxial Growth Candidates*, ACS Applied Materials
and Interfaces, accepted 1/27/2014.
http://pubs.acs.org/doi/full/10.1021/am4059149.



2. In this SI, there are tables in the embedded org-file that were used for
analysis, but not printed in the SI file because they were too long.


Spencer D. Miller, Vladimir V. Pushkarev, Andrew J. Gellman and John R.
Kitchin, *Simulating Temperature Programmed Desorption of Oxygen on Pt(111)
Using DFT Derived Coverage Dependent Desorption Barriers*, Topics In
Catalysis, 57(1), 106-117 (2013).
http://link.springer.com/article/10.1007%2Fs11244-013-0166-3


3. this paper contains the code developed for running these calculations.


Zhongnan Xu and John R Kitchin, *Relating the Electronic Structure and
Reactivity of the 3d Transition Metal Monoxide Surfaces*, Catalysis
Communications, Accepted Oct 2013.
http://dx.doi.org/10.1016/j.catcom.2013.10.028



4. This paper has embedded Excel sheets in the SI, which contain data used
in the paper.


Alex Hallenbeck and John R. Kitchin, *Effects of O2 and SO2 on the Capture
Capacity of a Primary-Amine Based Polymeric CO2 Sorbent*, IECR, 52 (31),
10788-10794 (2013). http://dx.doi.org/10.1021/ie400582a.



John

---
John Kitchin
Associate Professor
Doherty Hall A207F
Department of Chemical Engineering
Carnegie Mellon University
Pittsburgh, PA 15213
412-268-7803
http://kitchingroup.cheme.cmu.edu