Recent COMP News

Undergraduate Poster Award Winners of Fall 2016

posted Aug 27, 2016, 4:37 AM by Katrina Lexa

We saw a lot of amazing posters in COMP at ACS Philadelphia. A huge congratulations to our Undergraduate Poster award winners of the Fall 2016 ACS session! 

Edwin Fluck (encapsulation of sugar alcohols with foldamers)
Jessica Niblo (solvent effects on the reactivity of C-amino-1-methyl-1,2,4-triazoles)
Lucas VanLaar (applied HF to characterize fundamental atomic properties)
Zachary Graziano (ice nucleation at mineral surfaces via MD)

On-site Technical Program PDFs - Philadelphia

posted Aug 20, 2016, 2:19 PM by Lee Woodcock

Hello All, 

I have pulled and uploaded a PDF of the On-site Technical Program. Additionally, 
I have pulled the program information for a handful of divisions that have logical 
overlap with ACS COMP. 

H. Lee Woodcock
ACS COMP Program Chair 

COMP Election 2016

posted Aug 19, 2016, 3:37 AM by Ed Sherer

Congratulations to our new elected members of the COMP Division, and thank you to all other candidates for their interest and continued involvement with COMP.   This year we again peaked at a response rate of about 540 out of 2100 possible votes.  If you have any suggestions for bringing in more votes to the process, please get in touch with any member of the Division.

Chair Elect for 2017; Chair 2018: Maria Nagan
Councilor (2017-2019): Emilio Esposito
Alternate Councilor (2017-2019): Peter Jurs

COMP Mentor Lunch at ACS Philadelphia

posted Aug 17, 2016, 8:19 AM by Katrina Lexa

Are you a student or postdoc interested in continuing your career in computational chemistry? Join senior members of the COMP division for lunch during ACS Philadelphia to discuss your career aspirations, goals, and other questions. We will host lunch for 20 students and postdocs right after the COMP Drug Discovery Wednesday AM session ends.

Space is limited and first come, first serve. Sign up in advance

Student and Postdoc Networking Events at ACS Philadelphia

posted Aug 17, 2016, 8:01 AM by Katrina Lexa

Take advantage of these great networking opportunities during ACS Philadephia. 

1.       Attend the ChemIDP™ Workshop: Planning for Your Career – Held Sunday, August 21, 2:00-4:00 pm, in Room 111A of the Pennsylvania Convention Center. Join this interactive workshop to start mapping out your career plans and learn how the ChemIDP™, ACS’s new professional development tool, can support your career planning and preparation. Free refreshments. Please register here to attend this workshop.

2.       The Faculty and Postdoc Afternoon Networking Coffee Break will be held Sunday, August 21, 4:00-6:00 pm, in Room 113B of the Pennsylvania Convention Center. Refreshments will be provided.

3.       The ACS Graduate & Postdoctoral Scholars Reception will be held on Monday, August 22, 7:00-8:30 pm, in Ballroom A of the Pennsylvania Convention Center. Please arrive by 6:45 pm, and sign in at the Division Table located just outside the Ballroom.

4. Student Speed Networking with Chemistry Professionals will be held on Monday, August 22, from 4:00-5:30 pm, in Hall G of the Pennsylvania Convention Center (just prior to the Graduate & Postdoctoral Scholars Reception). Simply talk informallyabout your career and aspirations.

5.  Attend the Academic Employment Initiative (AEI) poster session on Monday, August 22, 8:00 to 10:00 pm, at the SciMix Poster Session in the Pennsylvania Convention Center – Halls D/E.  A list of the job candidates and their brief biographical sketches can be accessed


If you have any questions, please reply to

The "What Chemists Do" Video

posted Jul 27, 2016, 6:35 AM by Yi-shu Tu

One of COMP Division member, Chuck Reynolds, Ph.D, is the founder and CEO of Gfree Bio, a company specializing in computational modeling for small pharmaceutical companies. Dr. Reynolds' company helps small companies and start-ups improve their experiments by developing new tools for modeling and drug discovery. Learn more about what Dr. Reynolds does as a computational chemist through this video.

Video and Description: ACS

COMP 2016 Election

posted Jun 27, 2016, 12:00 PM by Ed Sherer   [ updated Jun 28, 2016, 8:17 AM ]

The 2016 election will be for the 2018 Chair (2017 Chair-Elect) and a Councilor/Alt Councilor pair.  The election will be conducted via Survey Monkey based on the official ACS COMP election email list of qualified voting members.  If you do not receive a ballot and expect to, please contact our secretary (contact details in the Current Officers Section).  The election will begin on June 28 and run until August 12.

If you do not get your ballot by the end of 6/28, please check spam/filtered folders, ensure you have not opted out of Survey Monkey, and that your ACS official email address is up to date, and correctly entered.

Bios for the Chair and Councilor candidates are available below via the pdf link

New International Grant Opportunity Available

posted Jun 13, 2016, 7:19 AM by Ed Sherer

To help fulfill and advance the ACS Constitutional mandate for the Society to cooperate with scientists internationally and (foster) the worldwide application of chemistry to the needs of humanity (Article 2, Sec 3), the ACS Committee on International Activities (IAC) is piloting a grant program for ACS members to make stopover visits during planned international travel from September 1 – December 31, 2016. Grants will be available to reimburse costs of local travel, accommodations, and incidentals for visits to work with existing and prospective scientific partners (and their students) for the purposes of conducting lectures, training, and building research collaborations. By August 1, 2016, please send a letter of interest describing details, timing and desired outcomes of the planned stopover to Dr. Ellene Tratras Contis, IAC Chair, at If you have any questions, please contact the ACS Office of International Activities.

COMP Abstract deadline for ACS Fall 2016 extended!

posted Mar 22, 2016, 11:53 AM by Katrina Lexa

The deadline for abstract submission has been extended by 1 week. The new deadline is Monday March 28th at midnight EST.  Hopefully this gives everyone plenty of extra time to get their COMP abstracts submitted. Please contact us if you have questions!

Technical Program PDFs and COMP events for San Diego (Spring 2016)

posted Mar 12, 2016, 9:50 AM by Lee Woodcock

If you are attending the ACS National Meeting in San Diego... Here are some links and information to make your conference experience awesome! 

Divisional Technical Program PDFs
Well, the ACS has decided to stop distributing the "On-site" printed program for free (i.e., they now charge for this)!!! Well my friends, do not fear... Below you will find the PDFs of the technical programs (like you've just ripped them from that huge book but without the ragged edge) to download and print. Below you will not only find the programs for MPPG and COMP, but the full program and several of the divisions that significant overlap with COMP programming at this meeting are provided too! Enjoy!

Please join us at the COMP Poster Session
Tuesday, March 15, 2016 
COMP Awards and Poster Session
6 – 8pm
San Diego Convention Center Hall E

Download the ACS Denver Meeting app

Remember to follow us on Social Media! 
COMP programming ->
COMP on Linkedin ->

1-10 of 72