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 2021 Atlanta 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 and $1,000 prize. Winners will share their work at the COMP Awards Symposium 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 acs.comp.awards_AT_gmail.com 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 the Join COMP page.

To apply for an award for the ACS National Meeting on August 22-26, Atlanta GA, do the following:


1) submit your abstract to the "COMP Division Awards Symposium" on the ACS MAPS system. For this meeting, the award presentations will be held as oral presentations. More details will be provided when available from ACS.

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 April 7, time zone AoE.

For additional information, contact:

Carlos Simmerling

Chair, ACS COMP Division Awards Committee

Professor, Department of Chemistry

Stony Brook University

Stony Brook, NY 11794-3400

acs.comp.awards_AT_gmail.com

http://www.wiley.com/WileyCDA/

The Spring 2021 Winners

Joonho Lee

Columbia University, Department of Chemistry; David R. Reichman, mentor

Auxiliary-Field Quantum Monte Carlo for Describing Electrons and Nuclei on an Equal Footing: Application to the Holstein and Hubbard-Holstein Models


Yinan Shu

University of Minnesota, Department of Chemistry; Donald G. Truhlar, mentor

Diabatization by Machine Intelligence

Previous Wiley Computers in Chemistry Outstanding Postdoc Award Winners

The Fall 2020 Winners (Virtual Meeting)

Srirupa Chakraborty, Los Alamos National Laboratory, Theoretical Biology and Biophysics (T-6) Center for Nonlinear Studies (Gnana S. Gnanakaran, advisor), Harnessing high-throughput modeling and graph theory towards the topological characterization of densely glycosylated proteins

Xuecheng Shao, Rutgers University, Department of Chemistry (Michele Pavanello, advisor), Orbital-Free Density Functional Theory

The Spring 2020 Winners (Philadelphia, PA)

Jun Zhang, Pacific Northwest National Laboratory, Basic & Applied Molecular Foundations,(Vassiliki Alexandra Glezakou, advisor), ABCluster: Enables Agile and Efficient Global Optimization of Chemical Clusters

Christopher Stein, Lawrence Berkeley National Laboratory, Chemical Sciences Division, (Martin Head-Gordon, advisor), Development of grand-canonical cluster models for electrocatalysis

The Fall 2019 Winners (San Diego, CA)

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 Spring 2019 Winners (Orlando, Florida)

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