COMP Award Winners | Fall 2019

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, Department of Chemistry (David N. Beratan, advisor), Duke University. Unraveling functional hole hopping pathways in the [4Fe4S]-containing DNA primase

Diptarka Hait, Department of Chemistry (Martin Head-Gordon, advisor), University of California, Berkeley. Development of excited state quantum chemistry methods capable of describing photodissociation of single bonds

Jon Paul Janet, Department of Chemical Engineering (Heather Kulik, advisor), Massachusetts Institute of Technology. Multifidelity methods for the design of transition metal complexes

Kalli Kappel, Biophysics Program (Rhiju Das, advisor), Stanford University. Rapid RNA structure determination through cryo-EM, high-throughput biochemistry, and computational modeling

Jaehyeok Jin, Department of Chemistry (Gregory A. Voth, advisor), University of Chicago. High Fidelity Ultra-Coarse-Graining of Soft Matter Systems

The Wiley Computers in Chemistry Outstanding Postdoc Award

Yu-ming Huang, Department of Chemistry and Biochemistry (J. Andrew McCammon, advisor), University of California San Diego. Brownian dynamic study of an enzyme metabolon in the TCA cycle: Substrate kinetics and channeling

Elvira Sayfutyarova, Department of Chemistry (Sharon Hammes-Schiffer, advisor), Yale University. Photochemistry of conjugated systems with “black-box” multireference methods

The OpenEye Outstanding Junior Faculty Award in Computational Chemistry

Alex Dickson, Department of Biochemistry & Molecular Biology, Michigan State University. Wepy: A Tool for Exploring Rough Free Energy Landscapes

Jianing Li, Department of Chemistry, University of Vermont. Hierarchical Simulation: Two Different Approaches and Their Applications to Design Complex Biomaterials

Revati Kumar, Department of Chemistry, Louisiana State University. Exploring graphene oxide-water interfaces: A computational investigation

Joel Yuen-Zhou, Department of Chemistry and Biochemistry, University of California San Diego. Computational Modeling of Polariton Chemistry