Recent COMP News


COMP Award Winners Fall 2019

posted Jun 29, 2019, 4:13 PM by Katrina L.   [ updated Jun 29, 2019, 4:15 PM ]

Congratulations to all of our COMP award winners for the Fall 2019 ACS in San Diego!


The Chemical Computing Group Excellence Award for Graduate Students

 

Ruijie Darius Teo

Duke University

Department of Chemistry (David N. Beratan, advisor)

Unraveling functional hole hopping pathways in the [4Fe4S]-containing DNA primase

 

Diptarka Hait

University of California, Berkeley

Department of Chemistry (Martin Head-Gordon, advisor)

Development of excited state quantum chemistry methods capable of describing photodissociation of single bonds

 

Jon Paul Janet

Massachusetts Institute of Technology

Department of Chemical Engineering (Heather Kulik, advisor)

Multifidelity methods for the design of transition metal complexes

 

Kalli Kappel

Stanford University

Biophysics Program (Rhiju Das, advisor)

Rapid RNA structure determination through cryo-EM, high-throughput biochemistry, and computational modeling

 

Jaehyeok Jin

University of Chicago

Department of Chemistry (Gregory A. Voth, advisor)

High Fidelity Ultra-Coarse-Graining of Soft Matter Systems

 

 

The Wiley Computers in Chemistry Outstanding Postdoc Award

 

Yu-ming Huang

University of California San Diego

Department of Chemistry and Biochemistry (J. Andrew McCammon, advisor)

Brownian dynamic study of an enzyme metabolon in the TCA cycle: Substrate kinetics and channeling

 

Elvira Sayfutyarova

Yale University Department of Chemistry (Sharon Hammes-Schiffer,

advisor)

Photochemistry of conjugated systems with “black-box” multireference methods

 

 

The OpenEye Outstanding Junior Faculty Award in Computational Chemistry

 

Alex Dickson

Michigan State University

Department of Biochemistry & Molecular Biology

Wepy: A Tool for Exploring Rough Free Energy Landscapes

 

Jianing Li

University of Vermont

Department of Chemistry

Hierarchical Simulation: Two Different Approaches and Their Applications to Design Complex Biomaterials

 

Revati Kumar

Louisiana State University

Department of Chemistry

Exploring graphene oxide-water interfaces: A computational investigation

 

Joel Yuen-Zhou

University of California San Diego

Department of Chemistry and Biochemistry

Computational Modeling of Polariton Chemistry 


COMP Election 2019

posted Jun 29, 2019, 4:04 PM by Katrina L.

The 2019 election will be for the 2021 Chair (2020 Chair-Elect), Councilor, and three Alternate Councilors.  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).

If you do not get your ballot by the end of 7/15, 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 below.

Women Make COMP

posted Mar 5, 2019, 2:07 PM by Maria Nagan

This is a call for the Women make COMP symposium that will be held at the Fall ACS meeting in San Diego. We are actively searching for abstracts from female graduate students and postdocs to participate in this symposium. Each awardee will be given the opportunity to present a short oral presentation alongside lectures from eminent women in the COMP field from both academia and industry. The awardee will also be given the Promise in COMP award, which includes registration fees and a plaque.

 

Abstracts are due March 25th, under the ACS MAPS portal for COMP – Women make COMP symposium.

 

Please see attached PDF for any other information, and forward to whomever you would like. If you have any questions, please let Kira, Giulia or Maria know!

Fall 2018 ACS COMP Newsletter

posted Oct 31, 2018, 5:07 AM by Katrina L.

Our Fall 2018 newsletter is here! Check out the COMP division highlights in the attached PDF.

2019 Undergraduate Workshop - Orlando

posted Sep 13, 2018, 12:29 PM by Maria Nagan   [ updated Sep 14, 2018, 6:16 AM ]

If you have an undergraduate student you’re sending to the ACS in Orlando, please have them apply to the Computers in Chemistry Division (COMP) Undergraduate Workshop. 

The workshop will have an introduction to QM, and MD methods. We’ll also have a career panel. Students should submit their poster for the regular Tuesday evening COMP Poster Session and also plan on attending the Sunday afternoon workshop.

To apply please go to: https://tinyurl.com/ydhd7fph

Rolling deadline: October 12, 2018

COMP will pay registration for any student accepted to the program.

ACS COMP Election 2018 Results

posted Aug 19, 2018, 2:51 PM by Katrina L.

The final results of the COMP 2018 election are in! Thank you to everyone who participated in this year's election. 

2019 COMP Chair:                           Seonah Kim
2019-2021 COMP Treasurer:               Lewis Whitehead
2019-2021 COMP Councilor III:       Christine Aikens

Congratulations to our new and returning Computers in Chemistry officers! Also, huge thanks to those who have served the division this year. We look forward to your continued involvement!

Nominations and Elections Committee

Special Symposium in Honor of Jeffry D. Madura

posted Aug 13, 2018, 8:46 AM by Maria Nagan

Please see the files below for the special symposium honoring Jeffry Madura, an active COMP member. This symposium has been organized by the Fall 2018 Graduate Student Symposium Planning Committee.

2018 Election Information

posted Aug 6, 2018, 7:44 AM by Maria Nagan   [ updated Aug 9, 2018, 2:55 PM ]

The 2018 election will be for the 2020 Chair (2019 Chair-Elect), Treasurer and a Councilor.  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).

If you do not get your ballot by the end of 8/13, 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 below.

Spring 2018 Newsletter

posted Mar 24, 2018, 6:46 PM by Katrina L.

Highlights from the COMP division are available now in our ACS COMP Spring 2018 newsletter. Check it out!

New Orleans Executive Meeting Agenda

posted Mar 16, 2018, 2:07 PM by Maria Nagan

We have an open Executive Meeting at the National Meeting. Please join us if you would like to be more involved in COMP.

Maria Nagan
Chair 2018

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