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Rebecca K. Lindsey

Ph. D. Candidate
M. S. Chemical Physics
B. S. Chemical Engineering
Networking: LinkedIn


Fifth year Ph.D. candidate studying chemical physics at the University of Minnesota. Research is focused on the use and development of computational methods such as molecular simulation and empirical calculations to study and design efficient separation processes. These studies have lead to a clearer understanding of the molecular-scale processes leading to separation in complex systems such as those used in chromatography as well as to the development of efficient approaches for screening of numerous (order 0.5 million) candidate setups for 2D-chromatographic separations. Other skills include ~13 years experience with computer programming and fluency in multiple programming languages; an engineer always has the right tool for the job.

  • Current: Ph. D. Candidate in Chemical Physics | University of Minnesota | Fifth Year
    • Siepmann Lab - Graduate Research Assistant - Simulation and Theory
      • Understanding retention mechanisms in high performance liquid chromatography (HPLC) and prediction of retention for competing solutes
      • Predicting solute uptake and structural changes in nano-structured surfactant systems
      • Development of the TraPPE force field
      • Algorithm development 
  • February 2012: M.S. Chemical Physics | University of Minnesota 
  • May 2010: B.S. Chemical Engineering | Wayne State University 
    • Potoff Lab - Undergraduate Research Student - Simulation and Theory
      • Predicting the biological fate of high energy materials and chemical nerve agents
      • Force field development 
Research Area [ 2010 - Current | Siepmann Group ]

My research focus is split between two areas. In the first, I make use of advanced Monte Carlo simulation in order understand the phenomena which lead to high precision separation in liquid chromatography.  From this research, insight into retention mechanisms is provided, which can then be used in directed design of future columns and for re-evaluation of long standing chromatographic theorems. My second area of focus is on coarse-grained and united-atom simulations for predictions of loading and stability in nano-structured surfactant/solvent/solute systems, with the aim of aiding formulation scientists in product tuning and design.

Research Area [ 2008 - 2010 | Potoff Group ]

Force fields were developed in order to simulate the biological fate of the post-detonation products of high energy materials as well as the removal of nerve agents via adsorbent materials found in respirators. By performing these experiments in silico we eliminate the need for many of the physical experiments on these systems which have high risk of serious injury.

Other Interests
  • Novel methods for algorithm acceleration and parallelization
  • Understanding solvated interface/solute interactions
  • Separation mechanisms in efficient analytical and large-scale processes 
  • Nucleation, aggregation, and crystallization processes
  • Algorithm development towards enhanced sampling in molecular simulations
  • Problem solving in any capacity
University Involvement
  • UMN Chemical Theory Center (CTC)
  • UMN Association of Multicultural Scientists (AMS) -- Officer
  • UMN Department of Chemistry Diversity Committee -- Graduate Student Representative
  • Women in Science and Engineering (WISE) -- Member
  • C/C++, Fortran(77,90,95), Python(2.6-3.0), Julia, Matlab, MPI, Cuda
  • Awk, Bash/shell scripting 
  • Linux/Unix, Windows, and Mac OSX
  • NAMD/VMD (Molecular dynamics), Monte Carlo methods
  • Gaussian, PC Model
Honors and Awards
  • Journal of Materials Chemistry A, B, and C Poster prize at the 2015 Conference on Foundations of Molecular Modeling and Simulation (FOMMS)
  • NSF travel Fellowship to attend 2012 Pan American Study Institute in Uruguay on Multiscale Molecular Modeling
  • 3rd Place at 2009 Annual AIChE Student Conference for poster on energetic materials.
  • Earnest B. Drake Leadership award for 2009 academic year 
  • Wayne State University Honors College Research Grant
    • Spring 2009
    • Summer 2009