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ACS COMP award winners for Spring 2018 meeting

posted Nov 27, 2017, 9:47 AM by Katrina Lexa
We received many excellent submissions and are thrilled to announce the winners of the ACS COMP awards for the Spring 2018 meeting in New Orleans!


The OpenEye Outstanding Junior Faculty Award in Computational Chemistry

  1. Heather Kulik, hjkulik@mit.edu, Massachusetts Institute of Technology, Chemical Engineering, Strategies and Software for Accelerating Inorganic Molecular Design

  2. Daniel Lambrecht, Lambrecht@pitt.edu, University of Pittsburgh, Department of Chemistry, Constructing Optimal Structure-Function Relations Directly from First Principles

  3. Eric May, eric.may@uconn.edu, University of Connecticut, Molecular and Cell Biology, Curvature Based Lipid Segregation and Stability Modulation in Bilayers Containing Cardiolipin and Monolysocardiolipin

  4. Adam Willard, awillard@mit.edu, Massachusetts Institute of Technology, Chemistry, Simulating Nanoscale Energy and Charge Transport in  Soft Molecular Semiconductors


The Wiley Computers in Chemistry Outstanding Postdoc Award

  1. Farnaz Alipour Shakib, farnaz.shakib@rochester.edu, University of Rochester, Chemistry, Nuclear Quantum Effects successfully incorporated into Nonadiabatic Molecular Dynamics Simulations via Ring Polymer Surface Hopping (Pengfei (Frank) Huo, advisor)

  2. Feizhi Ding, fzding@caltech.edu, California Institute of Technology, Division of Chemistry and Chemical Engineering, Embedded Mean-Field Theory for High-Efficiency Electronic Structure (Thomas F. Miller III, advisor)


The Chemical Computing Group Excellence Award for Graduate Students

  1. Stephanie Hare, stephanie.hare@gmail.com, University of California Davis, Chemistry, A Pummerer-Like Rearrangement: Effects of Solvent on a Post-Transition State Bifurcation (Dean J. Tantillo, advisor)

  2. John Karnes, jkarnes@ucsc.edu, University of California, Santa Cruz, Chemistry and Biochemistry, Mixing oil and water: The thermodynamics and mechanism of water transferring into oil (Ilan Benjamin, advisor)

  3. Michiel Niesen,  mniesen@caltech.edu, California Institute of Technology, Chemistry & Chemical Engineering, Forces on nascent polypeptides during membrane insertion and translocation via the Sec translocon (Thomas F. Miller III, advisor)

  4. Alice Walker, alicewalker@my.unt.edu, University of North Texas, Chemistry, Unfolding pathways of hen egg white lysozyme in ethanol; insights from IMS-MS and molecular dynamics (G. Andres Cisneros, advisor)

  5. Tzuhsiung Yang, tyang29@wisc.edu, University of Wisconsin-Madison, Chemistry, Enabling and accelerating Hessian calculations with numerical nuclear second derivatives on computing grid (John F. Berry, advisor)



Attend the COMP oral and poster sessions to learn more about their exciting research. 

Congratulations all! 


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