Our Research

Catalysis under Liquid Media

One of the biggest challenges in computational catalysis is modeling chemical transformations in liquid phase. We are using a combination of quantum chemical and Monte Carlo techniques to explore how liquid phase reaction environments influence surface chemistry.

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Selectivity in Complex Conditions

Designing highly selective catalysts - which target specific reactants or create specific products - is a grand challenge in catalyst design. We are modeling catalysts "from the ground up," starting with noble catalysts and tuning activity to catalyze specific reactions of interest.

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Biologically Inspired Catalysts

The ultimate goal of catalysis research is to achieve the high selectivities and activities demonstrated by enzymes. We are working with collaborators at Northwestern University to design materials that select specific reactants out of a sea of many and produce higly specific products.

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Adsorption on Iron Oxides

Magnetic nanoparticles are used in a variety of applications. A grand challenge is directing the nanoparticles with a high level of control. We are developing models of aqueous, ligated iron oxides with quantum-level detail that can be used to elucidate agglomeration at the nanoscopic level.

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Group News


Dr. Getman and collaborator David Bruce are awarded a grant from the National Science Foundation to study catalytic sugar alcohol conversion in aqueous phase. You can read the award abstract here. (July 22, 2014)


Andrew and Cameron are awarded travel grants to attend the International Conference on Environmental Catalysis in July. These grants will cover their registration fees and hotel room costs. Andrew additionally received a travel grant from the Clemson University Calhoun Honors College to cover incidentals during his travel. Congratulations, guys, and thank you, Andrew, for the extra effort you put in to write your application to the Calhoun Honors College! (July 17, 2014)


Lizzie successfully defends her MS thesis. Congratulations on a job very well done, Lizzie! (April 18, 2014)








Cameron receives word that he was chosen for a prestigious NASA Space Technology Research Fellowship. Congratulations, Cameron, on this very well-deserved honor! (April 16, 2014)


Dr. Getman and her son Nioclas are featured in an article in The Newsstand. Read it here.

Ed Colón receives a Minorities in STEM Research Fellowship from the South Carolina Space Grant Consortium to continue his work parameterizing a classical force field to describe solvation effects for adsorbates on metal catalyst surfaces. Congratulations, Ed!

Dr. Getman's book review of Computational Catalysis (RSC Chemistry Series, Aravind Asthagiri and Michael J. Janik, eds) is published in Catalysis Letters. Read it here.

Jeremy and Seth present their work at the AIChE Southern Student Regional Conference at the University of Puerto Rico. Jeremy gives an oral presentation, and Seth gives a poster. Way to represent. (March 22, 2014)

Lizzie wins 3rd place in the poster competition at the South Carolina Environmental Conference in Myrtle Beach, SC. Way to go, Lizzie! (March 10, 2014)



Group members participate in the 2014 ChBE Graduate Student Research Symposium. Lizzie gives a talk and Cameron and Kevin give posters. (March 5, 2014)

Baxter's paper is published! Get your copy here! (February 6, 2014)

Undergraduates Kyle Kwarsick and Pierson Smith join the group. Kyle will study adsorption under disordered organic phases, and Pierson will model adsorption on hematite surfaces. Welcome Kyle and Pierson! (January 15, 2014)





The group meets for dinner one last time before Seth (Dow Chemical) and Andrew (GE) go on co-op, and before Lizzie graduates (MS). Picture at left. From L to R: Matthew, Kevin, Jeremy, Seth, Andrew, Lizzie, Baxter, Cameron, Dr. Getman. Not pictured: Sean, Ed. (December 9, 2013)



Dr. Getman presents Cameron's research at the AIChE annual meeting in San Francisco, CA (November, 2013)

Dr. Getman is awarded a grant from the National Science Foundation through the Designing Materials to Revolutionize and Engineer our Future (DMREF) program along with collaborators Randall Q. Snurr, Joseph T. Hupp, SonBihn Nguyen, Peter C. Stair, and Omark K. Fahra from Northwestern University. The team is designing catalysts encapsulated by metal-organic frameworks (MOFs) for extraordinary selectivity (September, 2013)


The Group is well represented at the Southeastern Catalysis Society Regional Meeting in Asheville, NC (picture at left). Lizzie gives a talk; Cameron, Baxter, and Jeremy give posters; and Dr. Getman and Seth also attend (September 29, 2013)

Cameron passes his PhD candidacy exam. Many congratulations! (August 23, 2013)

Baxter lands a co-op at Johnson and Johnson. Congratulations, Baxter! (August, 2013)



Baxter's and Dr. Getman's paper is accepted into Molecular Simulation. Thanks for your hard work, Baxter! (July 23, 2013)

Undergraduate Sean Dix joins the group. Sean will work on modeling the metal interface of encapsulated catalysts. Welcome, Sean! (July, 2013)

Dr. Getman gives birth to a baby boy. He's already looking good in his orange onesie (left), which was a gift from the Group. Thank you to all of you for the nice gift, and for your support! (July, 2013)

Lizzie presents her research at the North American Catalysis Society North American Meeting in Louisville, KY. She was awarded a Kokes travel award to attend the conference. Congratulations, Lizzie! (June 3, 2013)

Jeremy, Seth, Andrew, and Kevin receive Undergraduate Research Fellowships from the South Carolina Space Grant Consortium, which is funded by NASA, to do a year's worth of research in the group. Many congratulations to all of you! (June, 2013)

Undergraduate Ed Colón joins the group. Ed will work on forcefield parameterization for water-adsorbate interactions. Welcome Ed! (May, 2013)

Seth, Andrew, and Matthew get internship/co-op positions. Seth will work a three-semester rotation at Dow Chemical, Andrew will spend the summer at Xylem Inc. in Charlotte, NC, and Matthew will spend the summer at Mustang Engineering in Greenville, SC. Congratulations to all of you! (May, 2013)

Heather graduates! She starts a full time position at Jacobs Engineering in Houston, TX later this month. The picture to the left shows Heather and Dr. Getman before the senior reception. Many congratulations to Heather! (May, 2013)

Dr. Getman presents Lizzie's research at the Western South Carolina Chapter AIChE meeting (February 12, 2013)

Undergraduates Kevin Quarles, Matthew Laird, and Andrew McCartney join the group. Kevin will work on determining the surface properties of ligated magnetite, Matthew will work on modeling biomass conversion to biofuel over Rh catalysts, and Andrew will work on decomposition of lactone compounds on Au-based catalysts. Welcome Kevin, Matthew, and Andrew! (January, 2013)

Chris Stout gets a co-op at BASF in Spartanburg, SC. Congratulations, Chris! (January, 2013)

Graduate Student Cameron Bodenschatz joins the group. Cameron comes to us from The Ohio State University. He will work on modeling methanol electrooxidation over Pt catalysts under a water environment in an effort to predict less expensive electrooxidation catalyst materials. Welcome Cameron! (November, 2012)

Dr. Getman presents Lizzie's research at the Southeastern Catalysis Regional Meeting in Asheville, NC (October 1, 2012)

Dr. Getman's "News and Views" article is published in Nature Chemistry (September, 2012)

Lizzie passes her PhD candidacy exam. Many congratulations! (September 24, 2012)

Dr. Getman spends a month visiting the University of Iowa as part of a grant to work with collaborator Dr. Adam S. Ward (July, 2012)

Undergraduate Seth Elliott joins the group. Seth will work on modeling biomass conversion to biofuel on Pd catalysts in vacuum and under water. Welcome Seth! (July, 2012)

Undergraduates Baxter Ward, Jeremy Arvay, and Chris Stout join the group. Baxter will work on adsorption of hydrophobic and hydrophilic molecules under a water environment, Jeremy will work on developing an ab initio-based Monte Carlo program to model chemical adsorption at metal surfaces, and Chris will work on modeling agglomeration in the presence of a magnetic field using molecular dynamics. Welcome Baxter, Jeremy, and Chris! (May, 2012)

The Group moves into "Curium Corner," which is our newly renovated, 400 square foot research office on the first floor of Earle Hall (March, 2012)

Undergraduate Heather Rodgers joins the group. Heather will work on modeling adsorption of hydrophilic and hydrophobic molecules on Pt and Cu surfaces. Welcome Heather! (November, 2011)

Graduate Student Lizzie Bollmann joins the group. Lizzie comes to us from the Universidad Centroamericana José Simeón Cañas in El Salvador. Lizzie will work on designing highly selective catalysts for decomposition of pollution in water. Welcome Lizzie! (November, 2011)

Dr. Getman wins a Multidiscipinary Research Grant from the Obermann Center for Advanced Studies at the University of Iowa with collaborator Dr. Adam S. Ward (October, 2011)

Dr. Getman pitches her research plans at the CAREER Award Regional Forum at Louisiana State University (November, 2011)

Dr. Getman joins the faculty in the Department of Chemical and Biomolecular Engineering at Clemson University (August 15, 2011)