Recent COMP News


ACS COMP Awards for NOLA

posted Aug 28, 2017, 3:58 AM by Carlos Simmerling   [ updated Aug 28, 2017, 4:02 AM ]

Dear ACS COMP Members:

On behalf of the Division of Computers in Chemistry (COMP) of the American Chemical Society, we invite nominations for the awards for the Spring 2018 National American Chemical Society Meeting (March 18-22 New Orleans, LA). 

Please note most of the awards have a October 2nd deadline.

To find out more information about all COMP awards please visit our website http://www.acscomp.org

CCG-sponsored award for grad students: http://www.acscomp.org/awards/chemical-computing-group-excellence-award

Wiley-sponsored award for postdocs: http://www.acscomp.org/awards/the-comp-acs-outstanding-postdoc-award

Openeye-sponsored outstanding junior faculty awardhttp://www.acscomp.org/awards/the-comp-acs-outstanding-junior-faculty-award

Nvidia-sponsored GPU computing awardhttp://www.acscomp.org/awards/nvidia-gpu-award

COMP also provides a select number of undergraduate poster awards at the meeting. No special application is needed other than the normal abstract submission to the ACS MAPS system.

Application materials for many of these awards are due October 2nd!

Please contact Carlos Simmerling if you have any questions.

Prof. Carlos Simmerling
Department of Chemistry
Stony Brook University
Stony Brook, NY 11794-3400
carlos.simmerling at stonybrook.edu

2017 COMP Election Results

posted Aug 21, 2017, 5:36 PM by Ed Sherer

The Computers in Chemistry Division would like to congratulate the members elected to the following positions. We thank all volunteers for running and look forward to working with you this year to find other areas of impact/outreach.

2018 Chair-Elect, 2019 Chair: Michelle Hall
Secretary: Katrina Lexa
Councilor: Chris Cramer
Alt-Councilor: Terry Stouch

On-site Technical Program PDFs - Washington, DC

posted Aug 18, 2017, 4:30 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. 

Thanks, 
H. Lee Woodcock
ACS COMP Program Chair 

Fall 2017 Mentor Lunch

posted Jul 31, 2017, 9:00 AM by Katrina Lexa

Going to ACS DC this Fall? If you are a postdoc or graduate student in computational chemistry, make sure you register for our traditional COMP mentor lunch!

Happening on Wednesday, August 23rd, senior members of ACS COMP will be on hand to answer all your questions about development and careers within industry and academia over lunch.

Spots are limited and they are first come, first serve, so sign up soon on our EventBrite page: ow.ly/eggX30e2XEu

COMP Divison Election 2017 & National Meeting Question

posted Jul 20, 2017, 6:33 AM by Ed Sherer   [ updated Jul 24, 2017, 9:39 AM ]

This year's election will be for the Chair of 2019, the Secretary, and a Councilor/Alternate Councilor. The ballot goes out via the official ACS email list for eligible members of the Division and will arrive via Survey Monkey. The election will begin on Friday July 21, and end on Friday August 18.  Biographies and Chair statements are available by following the PDF link below.

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. 

Thanks, 
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 ow.ly/uEiN30a56kG

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)

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