San Diego (Fall 2019) ACS Poster Winners

Congratulations to all of our Award winners at the San Diego (Fall 2019) ACS National Meeting!!!

All COMP Fall 2019 award winners:

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

Nvidia GPU Award for Best GPU Poster

Vinicius Cruzeiro

University of Florida

Department of Chemistry (Adrian E. Roitberg, advisor)

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