ACS COMP Programming twitter
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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

  • Technical Program PDFs and COMP events for Denver (spring 2015) Planning to attend the ACS National Meeting in Denver? Here are some links and information to make your conference experience awesome! ACS Award Symposia in COMPACS Award for Computers in Chemical and Pharmaceutical Research: Symposium in Honor of David A CaseACS Award for Research at an Undergraduate Institution: Symposium in Honor of George C ShieldsPlease join us at the COMP Poster SessionTuesday, March 24, 2015COMP Awards and Poster Session6 – 8pmColorado Convention CenterGoogle Map link: https://goo.gl/maps/29BhaHall B2Download the ACS Denver Meeting appFind the version for your smartphone here ( http://www.acs.org/content/acs/en/meetings/spring-2015/mobileapp.html )Divisional Technical Program PDFsEver rip ...
    Posted Mar 18, 2015, 2:23 PM by Emilio Xavier Esposito
  • The COMP Programming & Executive Board Meetings at Denver (spring 2015) The open COMP Programming & Executive Board Meetings are on Saturday, March 21, 2015 from 3 - 4pm and 4 - 6pm, respectively, in room 108 of the Colorado Convention Center.Room 108 is between the A and B Lobbies in the lower right-corner of the Colorado Convention Center map at this link:http://denverconvention.com/iMap/Street_Level.pdfRoom 108Colorado Convention Center700 14th StreetDenver, CO 80202Google Map link: https://goo.gl/maps/29Bha
    Posted Feb 4, 2015, 6:08 AM by Emilio Xavier Esposito
  • The Chemical Computing Group Excellence Award for Graduate Students Winners for Denver (spring 2015) The COMP Division is excited to announce the Chemical Computing Group Excellence Award for Graduate Students winners for the Denver ACS meeting (spring 2015). Please visit the COMP award winners and the other excellent COMP posters at the COMP Poster Session on Tuesday, March 24, 2015 from 6pm to 8pm in Hall B2 of the Colorado Convention Center. More information about the Chemical Computing Group Excellence Award for Graduate Students can be found here.Time-dependent nonequilibrium dynamics in QM/continuum approachesBenedetta Mennucci, Feizhi Ding, David Lingerfelt, Xiaosong Li. University of Washington, Seattle, Washington and University of Pisa Dept of Chemistry, Pisa, ItalyThe Polarizable Continuum Models (PCMs) are some of the most inexpensive yet successful methods for including ...
    Posted Jan 28, 2015, 11:41 AM by Emilio Xavier Esposito
  • The OpenEye Outstanding Junior Faculty Award Winners for Denver (spring 2015) The COMP Division is excited to announce the OpenEye Outstanding Junior Faculty Award in Computational Chemistry winners for the Denver ACS meeting (spring 2015). Please visit the COMP award winners and the other excellent COMP posters at the COMP Poster Session on Tuesday, March 24, 2015 from 6pm to 8pm in Hall B2 of the Colorado Convention Center. More information about the OpenEye Outstanding Junior Faculty Award in Computational Chemistry can be found here.Physically-motivated first-principles force fields for molecular simulation: Theory and applicationsJordan Schmidt, Jesse McDaniel. University of Wisconsin - MadisonMolecular simulations are widely used to predict and explain the structural, thermodynamic, and dynamic properties of condensed-phase chemical systems. As such, there has been considerable ...
    Posted Jan 28, 2015, 11:40 AM by Emilio Xavier Esposito
  • The NVIDIA GPU Award for Best GPU Poster Finalists for Denver (spring 2015) The COMP Division is excited to announce the NVIDIA GPU Award finalists for the Best GPU Poster at the Denver ACS meeting (spring 2015). Please visit the COMP award winners and the other excellent COMP posters at the COMP Poster Session on Tuesday, March 24, 2015 from 6pm to 8pm in Hall B2 of the Colorado Convention Center. More information about the NVIDIA GPU Award for Best GPU Poster can be found here.Ligand-specific conformational changes in CCR7 coupled to signaling pathway selectionDavid Lo, Zied Gaieb, Dimitrios Morikis.University of California, RiversideChemokine receptor type 7 (CCR7) belongs to family one of the G-Protein Coupled Receptor (GPCR) super-family. It is activated by CCL19 and CCL21, which ...
    Posted Jan 30, 2015, 3:50 AM by Emilio Xavier Esposito
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