Some of the people in the group are a bit shy about having their picture taken, so have chosen to use an avatar instead!
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Adam Abbott

Adam Abbott B.S., Chemistry, Iowa State University (2016)

Adam was an undergraduate in the group who worked on the Critical Materials Institute project doing calculations of heavy elements with proteins. Jeff has moved on to graduate work in physical chemistry at the University of Georgia.

Nick Atoms

Nick Atoms B.S., Chemistry, East Carolina University (2006)

Nick was a graduate student in the group who worked on a task based implementation of Dynamic Nucleation Theory Monte Carlo (DNTMC). He has moved on to bigger and brighter endeavors.

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John Baluyut

John Baluyut

Ph.D., Chemical Education, Iowa State University (2015)
M.S., Physical Chemistry, Iowa State University (2012)
B.S., Chemistry, University of the Philippines at Los Banos
M.S., Organic Chemistry, University of Connecticut

John completed his masters studying properties of cellulose. He completed his Ph.D. in Chemical Education in the Holme group at Iowa State University and is now an Associate Professor at the University of Great Falls, Montana.

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Dominic Barrett

Dominic Barrett

B.S., Biology and Chemistry, Iowa State University (2020)

Dominic was an undergraduate researcher in the group who worked on improving descriptions within the Basis Set Exchange. Dominic is now working as Clinical Laboratory Technologist at Mayo Clinic Rochester.

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Jeff Boschen

Jeff Boschen

Ph.D., Physical Chemistry, Iowa State University (2017)
B.S., Chemistry, Truman State University (2011)

Jeff was a graduate student in the group who worked on non-adiabatic dynamics methods and energy extrapolation methods to approximate high accuracy configuration interaction calculations. He then stayed on as a postdoctoral researcher in the group working on the NWChemEx project.


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Kurt Brorsen

Kurt Brorsen

Ph.D., Physical Chemistry, Iowa State University (2014)
B.S., Chemistry, University of Oklahoma (2008)

Kurt joined our group during Summer 2007 with the Research Experience for Undergrads program. Kurt went on to graduate with a Ph.D. with Mark Gordon from Iowa State University and is now an Assistant Professor Of Chemistry at University of Missouri-Columbia.

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Dexter Clark

Dexter Clark Dexter was an undergraduate researcher in the group and explored chemical reactions using the EMSL Arrows app. He is now working at the Center for Biorenewable Chemicals.



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Lonnie Crosby

Lonnie Crosby Ph.D., Physical Chemistry, University of Memphis (2007)
M.S., Physical Chemistry, University of Memphis (2004)
B.S., Chemistry, Arkansas State University (2001)

Lonnie was a postdoc in our group. He helped to develop the DNTMC code within NWChem and explored the properties of weakly bound molecular clusters. Lonnie now works at the National Center for Computational Sciences at Oak Ridge National Laboratory.


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Nuwan De Silva

Nuwan De Silva Ph.D., Physical Chemistry, Iowa State University (2013)
M.Sc., Chemistry, Tennessee Technological University (2007)
B.Sc., Chemistry, University of Colombo, Sri Lanka (2004)

Nuwan was a joint postdoctoral researcher with Professor Mark Gordon who worked on developing molecular mechanics parameters and ab initio methods to perform high throughput molecular design of extractant ligands for the Critical Materials Institute. He also worked on interfacing an Effective Fragment Potential library with GAMESS and NWChem. Nuwan is currently an Assistant Professor at Western New England University.


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Michael Del Viscio

Michael Del Viscio B.S., Chemistry, Iowa State University (2019)

Michael was an undergraduate in the group working on the Critical Materials Institute project. He is currently working as a Clinical Laboratory Technologist at Mayo Clinic.


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Ajitha Devarajan

Ajitha Devarajan Ph.D., Electronic Structure Theory, NCL, Pune, India (1999)

Ajitha was a postdoc in the group who worked on DNTMC within GAMESS and understanding binding in cellulose. She is now a software quality assurance analyst/programmer at the University of Michigan, Ann Arbor.
Personal website: http://www.linkedin.com/in/ajithadevarajan/

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Joshua Engelkemier

Joshua Engelkemier B.S., Chemistry, Iowa State University (2011)

Joshua was an undergraduate in the group and participated in the 2010 PIRE program. He obtained his Ph.D. in physical chemistry by developing solid-state bonding theory under the mentorship of Daniel C. Fredrickson at the University of Wisconsin-Madison and is currently working on his Doctor of Law degree at University of Wisconsin-Madison.

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William Everett

William Everett B.S. University of North Carolina Asheville
Ph.D. Iowa State University 2019

Will was a graduate student in the group and worked on understanding catalytic hydroamination reaction mechanisms and task based parallel computing methods for quantum mechanical methods.


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Jacob Felder

Jacob Felder B.S., Chemistry and Computer Science, University of Wisconsin-Madison (2008)

Jake was a graduate student in the group who worked on the use of GPUs with integral codes. He is currently working at as a software developer at Epic.


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Joseph Groenenboom

Joseph Groenenboom B.S., Computer Engineering, Iowa State University (2013)

Joseph was an undergraduate in the group who worked on interoperability between GAMESS and NWChem. He is currently a Senior Software Engineer - Aviation at Garmin.


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Teena Gulabani

Teena Gulabani M.S., Computer Science, Iowa State University (2008)
B.S., Information Technology, VES Institute of Technology, Mumbai University (2006)

Teena was a masters degree student in our group. Her main work was on the CCA project; she developed the QM/MM CCA interface with NWChem. Teena now works as a Manager in Technical Product and Program Management at Amazon.


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Jeff Gustafson

Jeff Gustafson B.S., Chemistry, Iowa State University (2016)

Jeff was an undergraduate in the group who worked on the Critical Materials Institute project doing calculations of heavy elements with proteins. Jeff is currently working as a Lab Manager in the Department of Chemistry and Physics at Belmont University.


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Sara Anne Bauer (Hobbs)

Sara Bauer (Hobbs) B.S., Chemistry, Bethel College (2005)

Sara joined the Windus group in her first year of graduate studies at ISU. She then decided to join the work force instead of continuing graduate studies.


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Emily Hull

Emily Hull Ph.D., Iowa State University, Iowa (2014)
M.S., Chemistry, University of Idaho, Moscow, Idaho (2007)
B.S., Chemistry, University of Idaho, Moscow, Idaho (2005)

Emily graduated with her Ph.D. through her work on properties of transition metal complexes -- UV spectra and kinetics with excited states. Emily is currently working at Lancaster Laboratories.

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Jiyoung Lee

Jiyoung Lee M.S. Physical Chemistry, Iowa State University, Iowa (2018)
B.S., Chemistry, Ewha Women's University (2012)

Jiyoung graduated with an M.S. degree and worked on understanding sulfur structures with coinage metals and developing interfaces of NWChem and GAMESS with the Common Driver developed by the Sherrill group. She is currently pursuing a computer science graduate degree at University of Texas, Austin.


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Yichen Liu

Yichen Liu Yichen was an undergraduate researcher in the group and is now back in Hong Kong finishing her degree. Her research interests include interactions between metals and acids.



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Ashley Nashleanas

Ashley Nashleanas M.S., Physical Chemistry, Iowa State University (2013)
B.S., Chemistry, University of Notre Dame (2010)

Ashley received a masters for her work in computational chemistry in the Windus and Gordon groups. She obtained her Ph.D. in the School of Education at Iowa State University. She nows has her own consulting firm and is Adjuct Faculty member at Morningside College.


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Heather Netzloff

Heather Netzloff Ph.D., Physical Chemistry, Iowa State University (2004)
B.A., Chemistry and Mathematics, Minot State University (1999)

Heather was a postdoc in the group and worked on quantum mechanical components within the Common Component Architecture. She then decided to pursue her passion for baking by attending culinary school and is now a self-employed culinary artist.

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Kenna Rauchenecker

Luke Roskop B.S., Chemistry, Iowa State University (2017)

Kenna joined the group as an undergraduate researcher and looked at calculations related to extractants for the Critical Materials Institute. She is currently working as a consumer goods professional.



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Luke Roskop

Luke Roskop Ph.D., Physical Chemistry, Iowa State University
B.S., Chemistry, St. Cloud State University, MN

Luke was a joint researcher with Professor Mark Gordon who worked on using R12 methods with multi-configurational and local multi-reference configuration interaction methods. He developed an RI-MP2 C++ CPU and GPU code that will be extended to the Z-averaged perturbation theory method. He is currently working at Cray, Inc.



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George Schoendorff

George Schoendorff Ph.D., Physical Chemistry, Iowa State University (2012)
B.S., Chemistry, University of Michigan (2006)

George completed his Ph.D. as a joint student of Professors Mark Gordon and Theresa Windus working on heavy metal chemistry. He is now a staff member at Ames Laboratory.


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Dan Theis

Dan Theis Ph.D., Physical Chemistry, University of North Dakota (2011)
M.S., Physical Chemistry, University of Minnesota (2006)
B.S., Chemistry, Bethel College (2003)

Dan was a joint postdoc with Theresa and Klaus Ruedenberg and worked on extrapolation methods in high accuracy calculations. He is currently employed as a scientific programmer at Statistics & Control, Inc.


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Aaron West

Aaron West Ph.D., Physical Chemistry, Iowa State University (2012)
B.A., Biology and Chemistry, Augustana College (2004)

Aaron was a graduate student in the group who worked on excited state calculations and dynamics. Aaron expanded his training in theoretical chemistry as a postdoctoral scholar under the guidance of Professors Klaus Ruedenberg and Mark Gordon at Iowa State University. He is currently employed as a scientific programmer at Statistics & Control, Inc.



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Feng Xu

Feng Xu Ph.D., Theoretical Chemistry, University of South Carolina (2007)

Feng was a joint postdoctoral student with Mark Gordon who worked on periodic Fragment Molecular Orbital methods.