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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 GPU Award for Best GPU Poster (Denver, spring 2015) Have GPUs drastically improved your ability to do research?Are you writing GPU code that will help you and other scientists do more, faster?If so, submit an abstract to the NVIDIA GPU Award for Best GPU Poster competition at the ACS national meeting in Denver, Colorado (March 22-26, 2015). The COMP division hosts the NVIDIA GPU Award for Best GPU Poster. More information regarding this competition can be found here:http://www.acscomp.org/awards/nvidia-gpu-awardInformation on submitting your abstract using MAPS ( maps.acs.org ) can be found here:http://www.acscomp.org/meetings/presenter-information#TOC-Abstract-SubmissionsAbstract submission via MAPS closes for COMP division submissions at 11pm Eastern time on Tuesday, October ...
    Posted Sep 18, 2014, 11:25 AM by Emilio Xavier Esposito
  • COMP Division travel awards for Spring 2015 National Meeting Applications are open for travel awards from the ACS Division of Computers in Chemistry, to be awarded at the Spring 2015 national meeting in Denver, Colorado (March 22-26, 2015). The deadline to apply for these awards is midnight Eastern Time Friday October 10, 2014. Please follow the links below for information on how to apply. CCG Research Excellence award (graduate students)http://www.acscomp.org/awards/chemical-computing-group-excellence-award OPENEYE Outstanding Junior Faculty Award (tenure-track Assistant Professors)http://www.acscomp.org/awards/the-comp-acs-outstanding-junior-faculty-award
    Posted Sep 18, 2014, 11:24 AM by Emilio Xavier Esposito
  • 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
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