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DC
Join us for the...
Computers in Chemistry Edit-a-Thon
Join us for an edit-a-thon at the American Chemical Society! We'll focus on articles about computers in chemistry — the theme of the American Chemical Society's 251st National Meeting & Exposition — but attendees are welcome to work on any other topic related to chemistry as well. This event is organized as part of the Wikipedia Year of Science.
when
- March 20, 2016 at 1:00 PM – 5:00 PM
where
- American Chemical Society
- 1155 16th Street NW, Washington, DC
-
Farragut North (Red Line),
Farragut West (Blue / Orange / Silver Lines) - Guests will be asked to sign in at the security desk upon arrival.
- You may also join us remotely from wherever you are!
your hosts
- American Chemical Society and Wikimedia District of Columbia Feel free to also sign your name in the section below.
I'll attend in person
- Kirill Lokshin ( talk)
- KLindblom ( talk)
- Antony–22 ( talk⁄ contribs) 01:06, 16 March 2016 (UTC)
- econterms ( talk)
- ...
I'll participate online
- Sydney Poore/ FloNight ♥♥♥♥ 14:05, 15 March 2016 (UTC)
- DMacks ( talk) (possibly only second half of the timeframe)
- Mary Mark Ockerbloom ( talk) 19:19, 21 March 2016 (UTC) (slightly after the fact :-)
Can't make it to the event? You can participate online! Here's how it works:
Don't have a username yet? It's easy to create one.
Want to work on an article that's not on the list? You're welcome to choose any topic you like!
Some events also include a video or audio conference. You can find more details on this page.
Many of the articles listed below could use work to improve their introductions and writing style for general audiences.
Articles in good/decent shape
- Basis set (chemistry)
- Computational biology
- Computational chemistry
- De novo protein structure prediction
- Docking (molecular)
- Energy minimization
- Force field (chemistry)
- Linear combination of atomic orbitals
- Molecular dynamics
- Molecular mechanics
- Molecular modeling
- Molecular orbital (calculation)
- Molecular vibration
- Perturbation theory
- Protein design
- Quantum mechanics
- Transition state
- Water model
- Woodward-Hoffman rules
Articles in poor shape
- Car-Parrinello method
- Cheminformatics
- Computational Biology and Chemistry
- Computational Chemistry Grid
- Computational/cheminformatics for process chemistry
- Computational/cheminformatics for analytical chemistry
- Crystal structure prediction (specifically of small molecules)
- Computer-aided drug design
- Free energy perturbation
- Gaussian (software)
- Gaussian orbital
- Hybrid functional
- Journal of Chemical Theory and Computation
- Karl Slotta
- Matched molecular pair analysis
- Mathematical chemistry
- Matsubara frequency
- Molecular design software
- Molecular models of DNA
- Parallel tempering
- Path integral molecular dynamics
- Pharmacophore
- Potential energy surface
- Quantitative structure-activity relationship (compare and contrast 2D to 3D)
- Rational design
- Reaction coordinate
- Saddle point (good general article but nothing about the computational chemistry applications)
- Secondary structure prediction
- Semi-empirical quantum chemistry methods
- Thermodynamic integration
- Theoretical chemistry
- Threading (protein sequence)
- Umbrella sampling
- Z-matrix (chemistry)
Topics not covered by Wikipedia
- List of computational chemists (perhaps assemble using List of chemists and Category:Theoretical chemists)
- Profile-QSAR
- Biomolecular simulation - but see Modelling biological systems
- In silico modeling - but see In silico
- Loop closure
- Rosetta (molecular modeling)--we do have a short CS-ROSETTA (what is its official site?) and Rosetta@home (a featured article!) that built on it
Other chemistry topics
- Category:Computational chemistry
- List of chemists
- Requested articles in chemistry
- Some Nobel Prize winners in chemistry, Presidents of the American Chemical Society and Feynman Prize in Nanotechnology for Theory winners have short or no articles.
- WikiProject:Chemistry is a portal for collaborating in Wikipedia around chemistry subjects.
Note on Conflict of Interest: Articles closely related to ACS might pose conflict of interest problems if edited by ACS employees. These include American Chemical Society, Chemical Abstracts Service, ACS journals, and other ACS programs and services. Individuals are reminded that conflict of interest editing is strongly discouraged. This includes edits to articles about yourself, your employer, and others with which you have a relationship. See Wikipedia's conflict of interest project and the best practices essay for guidelines.
- Wiki Ed Foundation's online training modules
- Wikipedia:Five pillars and Wikipedia:Core content policies
- Wikipedia:Your first article
- Help:Getting started
- Advice for scientists editing Wikipedia
- Cheatsheet for Wiki markup
Templates
Computers in Chemistry Resources
- Past winners of the ACS Award for Computers in Chemical and Pharmaceutical Research
General Chemistry Resources
- ACS library resources will be available in hardcopy
- List of American Chemical Society national awards, http://www.acs.org/content/acs/en/funding-and-awards.html (click "Search All Awards" to locate a specific subject)
- ACS National Historic Chemical Landmarks, http://www.acs.org/landmarks
- Nobel Prize in Chemistry laureates, http://www.nobelprize.org/nobel_prizes/chemistry/laureates/
- Chemical Heritage Foundation collections, http://www.chemheritage.org/discover/collections/index.aspx
- CHF Women in Chemistry, http://www.chemheritage.org/research/policy-center/oral-history-program/projects/women-in-chemistry.aspx
- About.com, Famous Chemists, http://chemistry.about.com/od/historyofchemistry/a/famouschemists.htm
- Biography.com, Chemists, http://www.biography.com/people/groups/scientists-chemists Forthcoming!
Created
- List of computational chemists
- Category:Computational chemists - created and populated
- Cynthia Larive - nominated for DYK
- Yue Qi - nominated for DYK
- Day-Glo Color Corp. - nominated for DYK
- Western Regional Research Center
Improved
- In silico -- cleaned up references
- Boltzmann distribution - improved disambiguation
- Karl Slotta add infobox & image
- Elizabeth Ann Nalley - added award and general clean-up
- Michelle Chang added award
- Natalie Ahn added works
- Angela K. Wilson - general cleanup and updating
- George C. Pimentel general cleanups
- Deborah Blum - added award
- Knudsen number - added examples and references
- Blacklight paint - clarified subject and added sources
- Southern Regional Research Center - added wikilink
- National Center for Agricultural Utilization Research - added wikilink
- Eastern Regional Research Center - added wikilink
- Bob Switzer - added wikilink
- Emily A. Carter - expanding, still needs discussion of her work
- Marcel J. E. Golay - adding citations, still needs more