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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

  • 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 28, 2015, 11:39 AM by Emilio Xavier Esposito
  • Submit your COMP abstract for the Denver ACS meeting (spring 2015) Pondering if you should submit an abstract to a COMP symposium for the Denver ACS meeting (March 22-26, 2015)? You definitely should but time is running out.COMP abstract submissions close at 11pm Eastern Time on Tuesday, October 28, 2014. Brief instructions on submitting your abstract using MAPS ( maps.acs.org ) are provided here. Late abstracts will not be accepted.The COMP Division is a multidisciplinary organization with members from almost every ACS division. Please consider submitting an abstract to:Computational Study of WaterDrug Discovery (ADME/Tox, Informatics, Ligand-based, Methodology, Structural Bioinformatics & Target-base)Materials ScienceMembranesMolecular Mechanics (Applications, Electrostatics & Polarization, Force Field Development, Methodology, and Proteins)Quantum Chemistry (Applications, Methodology, and Quantum Dynamics & Monte Carlo ...
    Posted Oct 24, 2014, 5:49 AM by Emilio Xavier Esposito
  • Call for abstracts at the Denver ACS meeting (spring 2015) You are invited to submit your abstract to COMP's technical program for the Denver ACS meeting (March 22 - 26, 2015). The abstract submission now uses Meeting Abstracts Programming System (MAPS; maps.acs.org ) by ScholarOne™ and while it will be different we believe it provides a better user experience. Because MAPS is new to all of us, we strongly encouraged you to submit your abstract early for the Denver meeting. By submitting your abstract early, any problems can be handled quickly and easily. COMP abstract submission is currently open via MAPS and closes for COMP division submissions at 11pm Eastern Time on Tuesday, October 28, 2014.Brief instructions to help you submit your abstract using MAPS ( maps.acs.org ...
    Posted Sep 26, 2014, 10:04 AM by Emilio Xavier Esposito
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