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Chemistry and Biochemistry Labs
Ess Lab

Team

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Daniel Ess, Ph.D.

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Postdocs

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Dr. Shusen Chen

I am currently working on mechanisms and design of main-group metal C-H activation and functionalization catalysts. 
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Jyothish Joy

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Justin Kirkdland

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Dr. Justin Kirkland

I use computational chemistry techniques to explore dinuclear catalyzed reactions as well as design catalysts.
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Jugal Kumawat

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Tony Schaefer

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Dr. Bo Yang

I collaborate with petrochemical companies to computationally design catalysts. I also work on direct dynamics of organometallic reactions.
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Graduate Students

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Michael Davenport

I use standard DFT calculations and dynamics simulations to examine transition-metal mediate C-H activation reactions. 
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Josh Wheeler

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Undergraduate Students

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Jeremiah Brown

I am developing a visualization application for direct dynamics trajectories.
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Aidan Goble

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Cal Hargis

I am using machine learning to analyze and predict outcomes of organometallic reactions.
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Drew Hartsfield

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Billy Hirschi

I use DFT calculations and data science tools to understand C-H activation and metal-alkyl functionalization reactions.

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Brendan Jensen

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Alex Kraus

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Iran Macias

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Trevor Mallavia

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Jared Rossberg

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Ishmael Taleo

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Nathan Todd

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Elayna Zalit

I am a developer of new software for automatically locating organometallic transition states. 
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Alumni

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Braden Borough

I am developing software to automate quantum-mechanical calculations.
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Ryan Carlsen

I am a developer of DynSuite and work on direct dynamics studies of organometallic reactions.

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Jimmy Coombs

I use computational tools to examine the mechanisms of dinuclear-catalyzed reactions.

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Alexander Gibson

I am currently applying DFT calculations to determine reaction mechanisms of main-group mediated C-H functionalization reactions.
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Michal Gibson

I am developing explicit solvent algorithms for implementation in our DynSuite program.
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Benjamin Grant

I am a developer of DynSuite and new approaches to applying machine learning to organic reaction dynamics trajectories.
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Spencer Hamilton

I am a developer of DynSuite and using machine learning methods to analyze organic reaction trajectories.
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David Hawley

I am developing software to aid in the design of catalysts with petrochemical companies.

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Dr. Steven Maley

I collaborate with petrochemical companies to computationally design catalysts. I also work on direct dynamics and machine learning projects.
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Jesse Melville

I am developing new approaches to applying machine learning to organic reaction dynamics trajectories.
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Zack Meyer

I am developing software to automate quantum-mechanical calculations and develop large datasets for machine learning.
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James Monson

I use static and dynamics DFT calculations to understand the reaction mechanisms of organometallic transformations. 
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Nathan Morgan

I use calculations to examine complex reaction mechanisms of organic reactions and determine selectivity. I also collaborate with petrochemical companies and use DFT calculations to understand catalysis selectivity.
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Taylor Nielson

I am a developer of new software for automatically locating organometallic transition states. 
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Gabriel Reed

Contact: gabrieljreed@gmail.com
I develop manipulatable 3D visualizations of chemical reactions. I am developing an application to be used for research and teaching purposes.
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Windsor Scott

I am using computations to predict NMR signals for anticancer compounds. 
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Brett Sorensen

I use periodic boundary calculations to computationally examine and design new heterogeneous catalysts with the petrochemical industry.
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Robert Steagall

I use DFT calculations to computationally examine heterogeneous catalysts with the petrochemical industry. 
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Dr. Maliheh Tameh

I use computational chemistry techniques to design catalysts in collaboration with petrochemical companies.
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Matthew Teynor

I am a developer of the quasiclassical direct dynamics program DynSuite. and using machine learning methods to analyze organic reaction trajectories. I also work on organometallic dynamics and machine learning projects. 
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Spencer Yu

I am using machine learning methods to analyze organic reaction trajectories.  
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