Recent COMP News

COMP Newsletter Spring 2017

posted Mar 29, 2017, 12:00 AM by Yi-shu Tu   [ updated Mar 29, 2017, 12:37 AM by Bo-Han Su ]

We've released our Spring 2017 newsletter. Read about the current COMP Awards recipients, our  undergraduate workshop, all the COMP programming at the Spring ACS, and more. Please see the attached PDF for all the latest updates!
COMP Newsletter Spring 2017

On-site Technical Program PDFs - San Francisco

posted Mar 24, 2017, 10:18 AM 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

Spring 2017 Mentor Lunch

posted Mar 22, 2017, 1:33 PM by Katrina Lexa   [ updated Mar 22, 2017, 1:35 PM ]

Sign up for our traditional ACS COMP mentor lunch!

If you are a postdoc or grad student attending this Spring ACS meeting in San Francisco,
come to lunch Wednesday April 5th with our COMP mentors. D
iscuss personal growth as well as development advice and career opportunities. Spots are limited and first-come, first-serve. Sign up at

Women in COMP breakfast for postdocs at Spring ACS

posted Mar 14, 2017, 5:59 PM by Katrina Lexa

Are you a female post-doc attending the Spring ACS 2017 in San Francisco? COMP is offering a fantastic mentoring opportunity over breakfast Tuesday morning. Meet rockstar female COMP chemists, including Laura Gagliardi, Emily Carter, Anastassia Alexandrova, Nuria López, and Zoe Cournia, and use this opportunity to ask your burning questions about having a COMP career.
See attached flyer and apply to Giulia Palermo (gpalermo -at- ucsd -dot- edu) for this unique opportunity.

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

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