Research

Lauren J. Abbott

Lauren Abbott

POSTDOCTORAL APPOINTEE

Lauren works in the Computational Materials & Data Science Department at Sandia. She is interested in studying the structure and properties of polymers and biomaterials using computational methods, including atomistic and coarse grain molecular dynamics simulations. Her Ph.D. work focused on the study of amorphous, microporous materials for gas adsorption and separation applications using atomistic simulations, which included the development of open-source code called Polymatic for structure generation of amorphous polymers.

Biography

  • Postdoctoral Appointee, Computational Materials & Data Science, Sandia National Laboratories, Albuquerque, NM. (2013-present)
  • Graduate Research Assistant, Department of Materials Science and Engineering, The Pennsylvania State University, University Park, PA. (2009-2013)
  • Graduate Mentor, Department of Materials Science and Engineering, The Pennsylvania State University, University Park, PA. (2011-2013)
  • Graduate Teaching Assistant, Department of Materials Science and Engineering, The Pennsylvania State University, University Park, PA. (2010, 2013)
  • Undergraduate Researcher, Department of Physics, Indiana University of Pennsylvania, Indiana, PA. (2008)
  • Undergraduate Research Fellow, Physics Laboratory, National Institute of Standards and Technology, Gaithersburg, MD. (2008)

Education

  • Ph.D., Materials Science and Engineering, 2013, The Pennsylvania State University, University Park, PA.
  • B.S., Mathematics, 2009, Indiana University of Pennsylvania, Indiana, PA.
  • B.S., Physics, 2009, Indiana University of Pennsylvania, Indiana, PA.

Awards, Honors, & Memberships

  • NSF Young Researcher Award, 2012, Foundations of Molecular Modeling and Simulation Conference.
  • 3rd Place, 2012, Graduate Poster Competition, Department of Materials Science and Engineering, The Pennsylvania State University.
  • Bayer International Travel Grant, 2012, Department of Materials Science and Engineering, The Pennsylvania State University.
  • Graduate Student Award in Computational Molecular Science and Engineering, 2011, Computational Molecular Science and Engineering Forum, American Institute of Chemical Engineers.
  • Sponsored Fellow, 2011, Integrated Computational Materials Education Summer School, University of Michigan.
  • Arkema Fellow, 2009, Department of Materials Science and Engineering, The Pennsylvania State University.
  • Summer Undergraduate Research Fellow, 2008, National Institute of Standards and Technology.
  • Merck Award, 2008, Department of Computer Science, Indiana University of Pennsylvania.
  • Daniel G. Reiber Memorial Scholarship, 2007, Department of Physics, Indiana University of Pennsylvania.
  • Rebecca A. Stoudt Memorial Scholarship, 2007, Department of Mathematics, Indiana University of Pennsylvania.
  • Arthur G. Morrell Memorial Scholarship, 2006, Department of Mathematics, Indiana University of Pennsylvania.

Publications

Peer-reviewed articles:

  1. Abbott, L. J.; Colina, C. M. "Formation of Microporosity in Hyper-Cross-Linked Polymers." Macromolecules, 2014, 47, 5409-5415. DOI: 10.1021/ma500579x

  2. Abbott, L. J.; Colina, C. M. "Porosity and Ring Formation in Conjugated Microporous Polymers." Journal of Chemical & Engineering Data, 2014, in press. Special Issue: Modeling and Simulation of Real Systems. DOI: 10.1021/je5002329

  3. Abbott, L. J.; Hughes, J. E.; Colina, C. M. "Virtual Synthesis of Thermally Cross-Linked Copolymers from a Novel Implementation of Polymatic." Journal of Physical Chemistry B, 2014, 118, 1916-1924. DOI: 10.1021/jp409664d

  4. Abbott, L. J.; McKeown, N. B.; Colina, C. M. "Design Principles for Microporous Organic Solids from Predictive Computational Screening." Journal of Materials Chemistry A, 2013, 1, 11950-11960. DOI: 10.1039/C3TA12442H

  5. Zhou, X.; Li, Y.; Hart, K. E.; Abbott, L. J.; Lin, Z.; Svec, F.; Colina, C. M.; Turner, S. R. "Nanoporous Structure of Semirigid Alternating Copolymers via Nitrogen Sorption and Molecular Simulation." Macromolecules, 2013, 46, 5968-5973. DOI: 10.1021/ma4006582

  6. Hart, K. E.; Abbott, L. J.; McKeown, N. B.; Colina, C. M. "Toward Effective CO2/CH4 Separations by Sulfur-Containing PIMs via Predictive Molecular Simulations." Macromolecules, 2013, 46, 5371-5380. DOI: 10.1021/ma400334b

  7. Abbott, L. J.; Hart, K. E.; Colina, C. M. "Polymatic: A Generalized Simulated Polymerization Algorithm for Amorphous Polymers." Theoretical Chemistry Accounts, 2013, 132, 1334. Special Collection: Foundations of Molecular Modeling and Simulation. DOI: 10.1007/s00214-013-1334-z

  8. Abbott, L. J.; McDermott, A. G.; Del Regno, A.; Taylor, R. G. D.; Bezzu, C. G.; Msayib, K. J.; McKeown, N. B.; Siperstein, F. R.; Runt, J.; Colina, C. M. "Characterizing the Structure of Organic Molecules of Intrinsic Microporosity by Molecular Simulations and X-ray Scattering." Journal of Physical Chemistry B, 2013, 117, 355-364. DOI: 10.1021/jp308798u

  9. Hart, K. E.; Abbott, L. J.; Colina, C. M. "Analysis of Force Fields and BET Theory for Polymers of Intrinsic Microporosity." Molecular Simulation, 2013, 39, 397-404. DOI: 10.1080/08927022.2012.733945

  10. Abbott, L. J.; Colina, C. M. "Atomistic Structure Generation and Gas Adsorption Simulations of Microporous Polymer Networks." Macromolecules, 2011, 44, 4511-4519. DOI: 10.1021/ma200303p

Computer codes:

  1. Abbott, L. J. Polymatic: A Simulated Polymerization Algorithm, Version 1.0, 2013. http://nanohub.org/resources/17278