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The Wiley Computers in Chemistry Outstanding Postdoc Award

The Wiley Computers in Chemistry Outstanding Postdoc Award program is organized by ACS COMP Division, sponsored by Wiley and presented by the Int. Journal of Quantum Chemistry and the Journal of Computational Chemistry. These awards provide $1,000 each to up to two outstanding postdoctoral scholars to present their work in COMP symposia at the Fall 2019 San Diego ACS National Meeting. The Awards are designed to assist postdocs in gaining visibility within the COMP community and in their transition to subsequent employment. Award winners will receive a certificate, $1,000 prize and a voucher for a free book from John Wiley & Sons, Inc. (up to $250 value). Winners will interactively share their work in poster format at the COMP poster session on Tuesday evening at the national meeting. 

Eligibility: Applications for Outstanding Postdoc Awards are invited from all current postdoctoral scholars who are members of ACS and the ACS Division of Computers in Chemistry. Candidates are welcomed from both academia and industry. Applicants must have already been awarded a PhD degree by the time of the application, and working in a temporary postdoctoral position. Candidates must have received their PhD no longer than 5 years prior to the application deadline. Questions about eligibility should be sent to prior to the deadline. Selection criteria will include the novelty and importance of the work to be presented, CV of the applicant, as well as the letter of support from the postdoctoral mentor.  Applicants must be a current member of the ACS COMP Division, see

To apply for an award for the ACS National Meeting in San Diego, CA, August 25 - 29 2019, do the following:

1) submit your poster abstract to the "Wiley Postdoc Award" poster COMP Division symposium on the ACS MAPS system. Do not submit your abstract to the regular poster session- it must be submitted for the Wiley Postdoc session or your application will not be considered for the award.

Note that the award application is for the poster session. If you want to also give an oral presentation, you must submit a separate and significantly different abstract to MAPS for an oral presentation in a relevant session, in addition to the poster abstract in the award section (note that acceptance into the oral sessions is not guaranteed).

2) fill out the application form (CLICK HERE), which also explains how to submit a single pdf document containing: (1) a title, authors and extended abstract of the work (no more than 2 pages, can include graphics), (2) a complete CV (including your ACS member number and confirmation that you are a member of the ACS COMP division) and have your postdoc advisor upload a recommendation letter. All materials, including recommendation letter, must be uploaded by the deadline. 

3) We will also allow applicants to upload an optional 1-2 minute video abstract in which they briefly introduce and explain their work, possibly showing graphics, videos or other things that will help the judges to see the quality of the presentation that you would give at the symposium. You can use software on your computer to record and save a webcam video. Popular software includes Photo Booth for Mac OS X and Camera for Windows 8+. If you have another OS, you may need to look up how to record videos using your webcam by referencing your device manual or searching online. If you have a mobile device, you can record videos with your phone's camera. Make sure to check your video after recording and ensure that your voice is clear and loud. Make sure it is no longer than 2 minutes! Distill your message and use the time wisely.

The deadline for completing these items is MIDNIGHT EASTERN TIME, March 25, 2019. Late application materials will not be accepted.

For additional information, contact:

Carlos Simmerling
Chair, ACS COMP Division Awards Committee
Professor, Department of Chemistry
Stony Brook University
Stony Brook, NY 11794-3400

The Spring 2019 Winners (Orlando, FL)

Juan Vicente Alegre Requena, (Robert S. Paton, advisor) Colorado State University, Department of Chemistry, Computational studies on bipyridine synthesis by contractive C–C coupling via P(V) intermediates

Matthew Welborn, (Thomas F. Miller III, advisor), California Institute of Technology, Division of Chemistry and Chemical Engineering, Transferability in Machine Learning for Electronic Structure via the Molecular Orbital Basis

The Fall 2018 Winners (Boston, MA)

Ka Un Lao (Robert A. DiStasio Jr., advisor) ; Cornell University; Chemistry and Chemical Biology ; “Multipole Polarizabilities and Dispersion Coefficients for Gas- and Condensed-Phase Molecules and Nanostructures”

Josh Vermaas (Michael Crowley, advisor); National Renewable Energy Laboratory; Biosciences Center; “Determining Differential Lignin Solvation and Structural Changes within Industrial Solvents”

The Spring 2018 Winners (New Orleans, LA)

Farnaz Alipour Shakib (Pengfei (Frank) Huo, advisor), University of Rochester, Chemistry

Nuclear Quantum Effects successfully incorporated into Nonadiabatic Molecular Dynamics Simulations via Ring Polymer Surface Hopping

Feizhi Ding (Thomas F. Miller III, advisor), California Institute of Technology, Division of Chemistry and Chemical Engineering

Embedded Mean-Field Theory for High-Efficiency Electronic Structure

The Fall 2017 Winners  (Washington, DC)

Yunfang Yang (Kendall N. Houk, advisor), University of Californica, Los Angeles, CA

Computational exploration of Pd(II)-catalyzed C-H activation and functionalization

Sandra Varinia Bernales (Laura Gagliardi, advisor), University of Minnesota, Minneapolis, MN

Towards multiconfiguration quantum embedding methods for solids state

The Spring 2017 Winners  (San Francisco, CA)

Varnavas Mouchlis (Advisor: Edward A. Dennis) Univ of California, San Diego 
"Phospholipases A2 a pharmaceutical target to diminish inflammation"

Makenzie Provorse (Advisor: Christine Isborn), University of California, Merced
"Electronic transitions in the condensed phase: Real-time and linear-response time-dependent density functional theory"

The Fall 2016 Winners  (Philadelphia, PA)

Emilie Guidez (Advisor: Mark Gordon) Iowa State University 
"Odd order dispersion interactions in water"

Justin Lemkul (Advisor: Alex MacKerell), University of Maryland
"Polarizable Force Field for DNA and RNA Based on the Classical Drude Oscillator Model"