Dr. Luke Roskop

Postdoctoral Research Associate
Address
201 Spedding Hall
The Ames Laboratory
Ames, IA 50011-3020
Phone 515-294-4604
Email luke@si.msg.chem.iastate.edu

Research Interests

  • Development of multi-reference perturbation theory
  • Explicit electron correlation methods

(Chronologically most recent on top)Education

  • Ph.D., Physical Chemistry, Iowa State University, 2011
  • B.S., Chemistry, St. Cloud State University, 2005

(Chronologically most recent on top)Publications with the Ames Laboratory

2011
Roskop L; Evans J W; Gordon M S . 2011. Adsorption and Diffusion of Gallium Adatoms on the Si(100)-2 x 1 Reconstructed Surface: A Multiconfiguration Self-Consistent Field Study Utilizing Molecular Surface Clusters. Journal of Physical Chemistry C. 115:23488-23500. abstract
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Gordon M S; Roskop L; Devarajan A . 2011. Perspective on "The Restricted Active Space Self-Consistent-Field Method, Implemented with a Split-Graph Unitary Group Approach". International Journal of Quantum Chemistry. 111:3280-3283. abstract
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2009
Mullin J M; Roskop L B; Pruitt S R; Collins M A; Gordon M S . 2009. Systematic Fragmentation Method and the Effective Fragment Potential: An Efficient Method for Capturing Molecular Energies. Journal of Physical Chemistry A. 113:10040-10049. abstract
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