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Welcome to the COMP Division's site. If this is your first visit, please take some time to read about the Division and the programs that we support. If you have suggestions for new content for the site or programs that you would like to see at our National meetings, feel free to write to us.

The Division serves a diverse membership and applies the latest innovations in theoretical chemistry to the experimental, physical, and biological sciences. Our members actively support education, outreach, professional development, and career growth. In addition, we utilize a variety of venues and tools to present, discuss, and publish the latest trends and results from computational scientists in all areas of research. If you are not a member, please join us! 


The COMP News

  • NVIDIA Best GPU Poster Award Winner (San Francisco, fall 2014) Congratulations to Vivek S Bharadwaj of the Department of Chemical and Biological Engineering at Colorado School of Mines in Golden, Colorado! Vivek won the NVIDIA GPU Poster Competition with his poster "Unraveling the fumarate addition reaction in the glycyl radical enzyme Benzylsuccinate Synthase: A GPU enabled comprehensive computational study." Vivek was awarded an NVIDIA Tesla K40 active!       Vivek S Bharadwaj  Vivek S Bharadwaj, Scott A Wildman (COMP Programming Chair, and Mark Berger (NVIDIA)  Vivek S Bharadwaj and Mark Berger (NVIDIA) About Vivek's NVIDIA GPU Award winning research: Unraveling the fumarate addition reaction in the glycyl radical enzyme Benzylsuccinate Synthase: A GPU enabled comprehensive computational study Vivek S Bharadwaj, Anthony M Dean, and C. Mark Maupin. Department of Chemical and ...
    Posted Aug 14, 2014, 2:30 PM by Emilio Xavier Esposito
  • COMP Related ACS 2015 National Award Winners Congratulations to David A. Case of the Department of Chemistry & Chemical Biology at Rutgers University on being awarded the ACS Award for Computers in Chemical and Pharmaceutical Research! The symposium honoring David's achievements will be held at the spring 2015 ACS National Meeting in Denver.Please visit the links below to learn more about David's research and the other computational chemists, and COMP members, that have been awarded ACS National Awards for 2015.David A. Case, Department of Chemistry & Chemical Biology, Rutgers UniversityACS Award for Computers in Chemical and Pharmaceutical ResearchSponsored by the ACS Division of Computers in ChemistryMark S. Gordon, Department of Chemistry, Iowa State UniversityACS Award in Theoretical ChemistrySponsored by ACS ...
    Posted Aug 14, 2014, 1:21 PM by Emilio Xavier Esposito
  • Technical Program PDFs for San Francisco Ever rip out the pages for your favorite divisions from the onsite technical program and then leave the book? Who hasn't? We've all done it. Who wants to carry that massive book?Ever wanted these pages before the meeting? You know, so you can plan which talks and posters to see. Wait and want no more! Below are the technical programs (like you've just ripped them from that huge book) for the COMP, CINF, MEDI, and PHYS divisions in PDF format. Download them. Print them. Give them to your friends and lab mates. Want the entire PDF of the onsite technical program? Visit this link ( http://sanfran2014onsite.acs.org )Don't forget about the mobile app! Download ...
    Posted Aug 7, 2014, 8:59 AM by Emilio Xavier Esposito
  • COMP events at the San Francisco ACS meeting (August 10-14, 2014) Planning to attend the ACS National Meeting in San Francisco? Here are some links to make your conference experience awesome! COMP’s complete technical program for the San Francisco ACS meeting can be found here- Go here -> http://www.acs.org/content/acs/en/meetings/fall-2014/program.html- Click the “Full Technical Program” link- Click on “COMP”Download the ACS San Francisco Meeting apphttp://www.acs.org/content/acs/en/meetings/fall-2014/mobileapp.htmlPlease join us at the following COMP networking and social eventsMonday, August 11, 2014COMP Together networking event and the TDT Award presentation for the 2014 Challenge5:30 – 7:30pmChevys Fresh Mex on the corner of 3rd & HowardGoogle Map ...
    Posted Aug 6, 2014, 4:07 AM by Emilio Xavier Esposito
  • Computational Chemistry Student Dies in Plane Disaster Karlijn Keijzer (pronounced "Car-line Kite-zer"), a chemistry doctoral student at Indiana University, was aboard the Malaysia Airlines jetliner shot down over Ukraine on July 17th. Keijzer, 25, was pursuing a degree specializing in computational chemistry in the Baik lab. Comments posed on the IU Hoosiers website from Mu-Hyun Baik, Associate Professor of Chemistry and Informatics and Karlijn's  doctoral advisor:"Karlijn was a bright, talented doctoral student, a diligent researcher and a dear friend to all of us who worked with her in our research group. She was a kind, happy young woman full of ideas about the future. She inspired us all with her optimism about how science will make Earth a better place. Ms. Keijzer ...
    Posted Jul 29, 2014, 12:14 PM by Sara Swift
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