COMP's National ACS Meeting Technical Programming

The Computers in Chemistry (COMP) Division is a multidisciplinary group with members from almost every ACS division. This wide diversity provides technical sessions that spans multiple areas of chemistry, biochemistry, informatics and physics. The goal of the COMP Programming Board is to provide the COMP membership and other ACS members the ability to present their research and provide the ability to organize symposia that are of interest to a specific group of scientists.

To reflect the heterogeneous character of the COMP division, the Member Contributed COMP Symposia include:

  • Computational Study of Water - Daniel Sindhikara & Tom Kurtzman
  • Drug Discovery (ADME/Tox, Informatics, Ligand-based, Methodology, Structural Bioinformatics & Target-base) - Yufeng Jane Tseng & Melissa Landon
  • Materials Science - Christine Aikens
  • Molecular Mechanics (Applications, Electrostatics & Polarization, Force Field Development, Methodology, and Proteins) - Jana Shen
  • Quantum Chemistry (Applications, Methodology, and Quantum Dynamics & Monte Carlo Simulations) - Eugene DePrince & Hrant Hratchian
  • The COMP Poster Session and Sci-Mix - H. Lee Woodcock

The Standing Invited Symposia are organized for each meeting (or every other meeting) and highlight a specific area of research that is constantly evolving and of high interest to the COMP membership. These symposia include:

  • Emerging Technologies in Computational Chemistry - The objective of the symposium is to stimulate, reward, and publicize methodological advances in computational chemistry. A panel of judges select the winning presentation and the speaker awarded a $1000 prize. A subset of abstracts are selected from contributed abstract and each presenter is provided 40 minute to present their research. This symposium takes place during the Sunday afternoon (PM) session at the ACS Fall National Meeting. This symposium is sponsored by Schrödinger, LLC and is organized by Carlos Simmerling; more information can be found here.
    • Essam Metwaly (Associate Principal Scientist at Merck)

Additionally, special topic themed symposia are often run as member contributed symposia. Please see the Call for Papers for specific meetings for a full listing of available symposia.

Abstracts submitted to the Member Contributed COMP Symposia (oral) benefit from:

  • Each speaker is provided 20-30 minutes to present his or her work
  • Talks on a common subject are presented together, providing the audience and speakers a cohesive experience

The COMP Programming Board

The COMP Programming Board oversees the organization of the COMP technical program at ACS national meetings. The Programming Board works very hard to ensure that the COMP technical programs are consistently outstanding. The COMP Programming Board is:

  • H. Lee Woodcock, PhD (Chair), University of South Florida
  • Jana Shen, PhD (co/assistant-Chair), University of Maryland
  • Christine Aikens (Material Science), PhD, Kansas State University
  • Eugene DePrince (Quantum Mechanics), PhD, Florida State University
  • Hrant Hratchian (Quantum Mechanics), PhD, University of California, Merced
  • Daniel Sindhikara (Computational Studies of Water), PhD, Schrödinger LLC
  • Tom Kurtzman (Computational Studies of Water), PhD, Lehman College
  • Melissa Landon (Drug Design), PhD, Schrödinger LLC
  • Yufeng Jane Tseng (Drug Design), PhD, National Taiwan University
  • Maria Nagan (Undergraduate Programming), PhD, Stony Brook University
  • Carlos Simmerling (Awards), PhD, Stony Brook University
  • Adrian Roitberg (Awards), PhD, University of Florida
  • Karl Kirschner (Awards), PhD, I Bonn-Rhein-Sieg University of Applied Sciences, Germany

To organize a symposium for an ACS National Meeting please contact Prof. H. Lee Woodcock (hlw AT and Prof. Jana Shen (Jana.Shen AT

COMP's Anti-harassment Policy

Volunteers and national meeting attendees should interact with others in a cooperative and respectful manner. Volunteers and national meeting attendees should refrain from using insulting, harassing, or otherwise offensive language in their ACS interactions. Disruptive, harassing, or inappropriate behavior toward other volunteers, stakeholders, or staff is unacceptable. Personal boundaries set by others must be observed. Harassment of any kind, including but not limited to unwelcome sexual advances, requests for sexual favors, and other verbal or physical harassment will not be tolerated.

The COMP Anti-harassment Policy is the ACS’s Anti-harassment Policy (here on p. 51, #4) and was adopted unanimous vote by the COMP Executive Committee (01/May/2019).