(6ho) Designing New Functional Soft Materials with Molecular Simulations

Soft condensed matter plays an increasingly important role in physics, chemistry, biology, and all engineering disciplines. Examples include polymers in the bulk and in thin films, as well as colloidal suspensions. Due to the vast range of possible applications, it is essential to improve understanding and gain insights into the complex interplay of processing, structure and properties of soft matter. Molecular simulations are a valuable tool to make significant advances by filling in the missing links between molecular structure and the resulting properties of soft matter.

My doctoral research (with Prof. Kurt Binder, University of Mainz) was focused on homogeneous crystallization of colloids, which provide a perfect model system for research into soft matter. I developed a novel method to determine nucleation barriers in simulations without the need to calculate the anisotropic interfacial tension or to identify the phases on a microscopic level.4 While I used a colloidal model to validate the method, it is applicable to non spherical and anisotropic crystals and can be, for example, extended to model ice and water. As a postdoctoral fellow (with Prof. Athanassios Panagiotopoulos, Princeton University) I applied my background in simulations to polymer systems, where I am especially interested in non-equilibrium phenomena like evaporation or flow of polymer solutions.^1,2 We showed the previously under-appreciated role of solvent hydrodyamics on the stratification of drying films, which is important for coatings, polymer thin film formation, and paints.

Building upon my previous expertise I will aim my research efforts at soft materials like colloidal dispersions, polymers solutions, polymer networks/gels, and polymer nanocomposites. Initially, I will focus on the following topics:

(1) The influence of hydrodynamics on the evaporation process of mixtures. Because this influence is not fully understood, developing a predictive model will accelerate the material design process for multicomponent coatings and thin films.

(2) The degree of crystallization in organic, molecular glasses can be tuned using polymer additives. Organic, molecular glasses are used in electronics, pharmaceutics, and biodegradable coatings. For many of these applications, it is desirable to suppress crystallization. Coarse grained molecular simulations provide a efficient way to systematically explore different chemistries and compositions and to guide experimental design to enhance or suppress the structure of the organic molecular glass.

(3) Star or brush shaped polymers are promising building blocks for flexible, multicomponent organic transistors, they form networks/gels which can be used for filtering and slow drug release. Understanding and controlling the structure, elasticity and flow behavior of these soft materials from the molecular level is going to open up new possibilities to design new functional soft materials.

I will build a vibrant research group operating at the intersection of engineering, physics, and chemistry, which will enable us to address both fundamental and applied questions. This why I believe a chemical engineering department would provide the perfect environment for my group. My goal is to translate the insights gained by advanced simulation and modeling techniques to design strategies and practical knowledge. In collaboration with experimental groups, this research will help design new functional soft materials to meet the emerging needs in energy, environmental science, engineering, and medicine.

Because my passion for research is strongly intertwined with my passion for teaching,
I am looking forward to having the opportunity to teach at the undergraduate and graduate levels. Learning happens best if the students know why the topic matters and are invested in understanding it. That is why I aim to communicate not only topics and principles when teaching, but also why these topics and principles matter. I strive to create a supportive, inclusive learning environment for every student, encourage them to think critically, and take active part in the learning process.

As a graduate student, I worked as a teaching assistant, giving me the opportunity to lead weekly review and homework sessions as well as designing and grading the exam and homework problems. During both my time as a grad student and postdoctoral fellow, I had the pleasure to mentor the research of three undergraduate students and two graduate students, some resulting in co-authored publications. Since I am determined to increase my experience and become an outstanding teacher, I volunteer with the Prison Teaching Initiative at the federal prison in Ft Dix. I have taught Environmental Science, Beginning Algebra, and Biological Science Concepts, which are accredited through Mercer County Community College. At Princeton University, I have had the opportunity to teach a part of the ''Numerical Algorithms for Scientific Computing'' graduate course.

My personal education and scientific background give me confidence in teaching core undergraduate chemical engineering courses as well as courses such as transport phenomena and thermodynamics. In addition, I am interested in teaching a range of advanced undergraduate and graduate-level courses in statistical mechanics, simulation methods, and scientific computing. I would like to include developing elective courses focusing on soft matter, polymers and simulation methods as an essential part of my responsibilities as a faculty member.

1. A Statt, MP Howard, AZ Panagiotopoulos, ''Influence of hydrodynamic interactions on stratification in drying mixtures'' arXiv:1804.00066

2. A Statt, MP Howard, AZ Panagiotopoulos, ''Solvent quality influences surface structure of glassy polymer thin films after evaporation'', J. Chem. Phys, 147 (18), 184901

3. A Statt, R Pinchaipat, F Turci, R Evans, CP Royall, ''Direct observation in 3d of structural crossover in binary hard sphere mixtures'', J. Chem. Phys, 144 (14), 144506

4. A Statt, P Virnau, K Binder, ''Finite-size effects on liquid-solid phase coexistence and the estimation of crystal nucleation barriers''
Phys. Rev. Lett, 114 (2), 026101