The Cherry L. Emerson Center for Scientific Computation
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Subscriber Research

Subscriber Research | Staff Research | Fellows Research

Department of Biology, Emory University

Department of Chemistry, Emory University

Department of Economics , Emory University

Department of Mathematics & Computer Science, Emory University

Department of Physics, Emory University


Prof. Joel Bowman & the Bowman Group, Chemistry Dept. (Physical)
Quantum Calculations of Chemical Reaction Dynamics and Vibrations of Large Molecules

Prof. Huw Davies and the group, Chemistry Dept. (Organic)

Prof. Brian Dyer and the Dyer group, Chemistry Department (Physical)

Prof. Michael Heaven & the Heaven group, Chemistry Dept. (Physical)
Calculation of Potential Energy Surfaces for Weakly Bound Systems

Prof. Craig Hill & the Hill group, Chemistry Dept. (Inorganic Chemistry)
Research in inorganic, catalytic, and nanomaterials chemistry and related areas

Prof. James Kindt & the Kindt group, Chemistry Dept. (Physical)
Molecular Dynamics and Monte Carlo Simulations of Lipid Bilayers and other Biologically Important Self-Assembled Systems

Prof. Tim Lian & Lian group, Chemistry Dept. (Physical)
Ultrafast spectroscopy of single molecules and nanomaterials

Prof. Lanny Liebeskind & Liebeskind group, Chemistry Dept. (Organic)

Prof. Ming-Chang Lin & the Lin group, Chemistry Dept. (Physical)
Calculation of Potential Energy Surfaces for Combustion Related Reactions and Reactions on Solid Surfaces

Prof. Dennis Liotta & the Liotta group, Chemistry Dept. (Organic)
Computational Approaches for Examining Enzyme/Ligand Interactions; Ab Initio Calculations for Assisting Synthetic Strategies and/or Gaining Understanding of Synthetic Results; Effective Core Potential for Examining the Electrostatics of Ligands Containing Metals

Prof. Keiji Morokuma & the Morokuma group, Chemistry Dept. (Physical)
Quantum Chemical Studies of Chemical Reaction Mechanisms: Transition States for Gas Phase Reactions, Organic Reactions, Organometallic Reactions and Enzymatic Reactions

Dr. Jamal Musaev, Emerson Center, Emory University
Theoretical studies of the mechanisms of (i) enzymatic processes, such as nitrogenase, oxygenase, nitration; (ii) Cluster chemistry (FenSn, FenMoSn and Ru-, Pd-, Pt-clusters); (iii) Transition metal catalyzed NN, OO, CC, C-H, B-B, Se-Se, S-S, Te-Te etc bond activation: (iv) catalytic alkene and alkyne insertion into X-X bonds, and olefin polymerization processes

Prof. Vaidy Sunderam & the Sunderam group, Math & Comp. Sci. Dept.
Concurrent and Distributed Heterogeneous Computing Systems, Collaborative Computing Methodologies and Tools, Software Infrastructures for Networked Data Management and Computation

Prof. Kurt Warncke & the Warncke group, Physics Dept.

Prof. Widicus-Weaver, Chemistry Dept. (Physical)

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