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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,


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