(7jg) Transport Properties of Polymers and Nanoparticles having Complex Mor-phologies: A Computational Modeling Study

My scientic research focuses on the use of computational tools to study the structural, transport, electromagnetic, hydrodynamic, and thermodynamic properties of soft materials at different time, length, and energy scales. In particular, I use molecular dynamics simulations, Monte Carlo simulations, path-integration techniques, and nite element calculations to study the self-assembly of DNA-based nanostructures, the property-structure relationships of complex macromolecules and polymers in solution, and the mechanic and electromagnetic properties polymer-based systems. My goal is to expand my collaboration network among the scientic community and foster the formation of new scientists in order to form an internationally recognized scientic group centered on the design, characterization, and property optimization of advanced soft materials.

Research Experience:

During my B.Sc. studies, I worked under the supervision of Prof. Arvids Stashans at the National Polytechnic School, Quito, Ecuador, where we performed quantum mechanic calculations to determine the structural, electronic, and optical properties of F{centers (two electrons in one oxygen vacancy) in cubic and tetrahedral lattices of SrTiO3, a material of interest due to its superconductivity properties. Additionally, I worked in Prof. Alberto Celi's lab developing software to automate the data extraction and analysis from an X{ray diractometer. We applied this computational tool to study the relationship between the structural and dielectric properties of TiZrSrO3 with dierent dopants.

My Ph.D. studies in Prof. Francis W. Starr's group, Wesleyan University, Middletown, CT, USA, centered on the use of Monte Carlo, molecular dynamics, and free{energy calculations to explore the self{assembly of nanoparticles decorated with DNA strands. In particular, we studied how the structural parameters of the DNA{coated nanoparticles affect the topology of the resulting self{assembled network, and the assemblies thermodynamic properties. These networks are currently being applying for sensing, imaging, and therapeutics. Our calculations and theoretical results allowed us to establish collaborations with researchers at Brookhaven National Laboratory.

After graduating, I continued expanding my computational skills and theoretical background during my two postdoctoral positions at the the National Institute of Standards and Technology (NIST), both working under the supervision of Dr. Jack F. Douglas. At NIST, we combined novel multi{scale computer modeling calculations to study transport properties of macromolecules, electromagnetic properties of carbon{based composites, and the hierarchical self{assembly of DNA{based nanostructures. All these projects were performed in collaboration with experimental scientists at NIST, which familiarized me with the state{of{the{art experimental nanoparticle characterization techniques.

Teaching Interests:

I have had the opportunity of teaching mathematics and physics to students ranging from middle school up to college. Additionally, during my Ph.D. program, I worked as teaching assistant for a variety of undergraduate and graduate physics and computational courses. I also mentored undergraduate students in performing research.

I am qualied to teach introductory physics and mathematics courses, classical mechanics, quantum mechanics, statistical mechanics, thermodynamics, and also more ap-
plied and interdisciplinary courses related to my computational and soft matter background, such as polymer physics, multiscale modeling, materials science related courses.

Selected Publications:

9. F. Vargas-Lara, A. Hassan, M. L. Manseld, and J. F. Douglas, \ Knot Energy, Complexity, and Mobility of Knotted Polymers", Accepted, Scientic Reports, (2017)

8. F. Vargas-Lara, M. L. Manseld, and J. F. Douglas, \Universal Interrelation Between Measures of Particle and Polymer Size ", The Journal of Chemical Physics, 147, 014903 (2017)

7. C. Long, N. Orlo, K. Twedt, T. Lam, F. Vargas-Lara , M. Zhao, B. Natarajan,K. Scott, E. Marksz, T. Nguyen, J. F. Douglas, J. McClelland, E. Garboczi, J. Obrzut, A. Liddle, \Giant Surface Conductivity Enhancement in a Carbon Nanotube Composite by Ultraviolet Light Exposure", ACS Appl. Mater. Interfaces, 8, 35, 23230-23235, (2016)

6. F. Vargas-Lara, A. Hassan, E. Garboczi, J. F. Douglas, \Intrinsic Conductivity of Carbon Nanotubes and Graphene Sheets Having a Realistic Geometry", The Journal of Chemical Physics, 143, 204902, (2015)

5. F. Vargas-Lara, S. M. Stavis, E. A. Strychalski, B. J. Nablo, J. Geist, F. W. Starr and J. F. Douglas, \Dimensional reduction of duplex DNA under connement to nano uidic slits", Soft Matter, 14, 8273-84, (2015)

4. F. Vargas-Lara, J. F. Douglas, \Confronting the Complexity of Commercial Carbon Nanotube Materials", Soft Matter, 11, 4888-4898, (2015)

3. S H. Ko, F. Vargas-Lara, P N. Patrone, S. M. Stavis, F. W. Starr, J. F. Douglas, and J. A. Liddle, \High{Speed, High{Purity Separation of Gold Nanoparticle{DNA Origami Complexes using Centrifugation: Theory and Experiment", Soft Matter, 10, 7370{7378, (2014)

2. C. Cheng, F. Vargas-Lara, A. Tchanvchenko, F. Starr, O. Gang \The Internal Structure of Nanoparticle Dimers Linked by DNA", ACS Nano, 6 (8), 6793-6802, (2012)

1. F. Vargas-Lara and F. W. Starr, \Stability of DNA{linked Nanoparticle Crystals I: Effect of Linker Sequence and Length", Soft Matter 7, 2085{2093, (2011)