(4gi) Harnessing Interfacial and Cooperative Interactions to Control Soft Materials: Theory and Simulation

From cellular environments to commercial formulations, the behavior of soft materials relies on the orchestrated interactions of diverse chemical species across multiple time and length scales. Effective design requires understanding and controlling the thermodynamics and phase behavior of these inherently multi-component systems, particularly in inhomogeneous environments typical of polymer and colloidal mixtures. Despite their ubiquity, many of these systems are not well-understood due to the large parameter spaces, intricate balance of forces, and sensitivity to environmental variables, such as temperature and pH. Tackling such challenges requires novel theoretical approaches and computational strategies.

In order to understand and design next-generation polymer materials, my lab will live at the intersection of soft matter physics, polymer physics, and computational science, focusing on the following themes: Surface-Mediated Thermodynamics and Flows, Cooperative Thermodynamics, and Accelerating Soft Matter Physics. Each theme employs advanced computational and theoretical tools to study underlying mechanisms and optimize material properties for applications such as smart coatings, self-assembled polymer alloys, and stimuli-responsive materials.

Research Experience

To accomplish my proposed research themes, I will utilize my expertise in developing and implementing molecular models. At the University of Cambridge, I developed transferable force fields and conducted high-throughput Monte Carlo simulations to screen metal-organic frameworks for CO/N2 separation, identifying top materials for synthesis. During my doctoral research with Prof. Zhen-Gang Wang at Caltech, I used field theoretical methods, such as self-consistent field theory and classical density functional theory, to discern the role of electrostatic and non-electrostatic forces in the phase behavior of polyelectrolytes and their to solid surfaces, especially related to polyelectrolyte complex coacervates. During an internship at Sandia National Laboratories with Dr. Amalie Frischknect, I developed a polarizable Kremer-Grest model for coarse-grained molecular dynamics simulations to elucidate the role of cluster structure on the dynamics of small ions in ionomer melts. At UC Santa Barbara, I am working with Prof. Glenn Fredrickson to develop novel field theoretic approaches to describe reversible bonding in polymer systems for applications in compatibilizing polymer blends.

From these experiences, I have gained a comprehensive understanding of soft matter and polymers systems in diverse environments that naturally translates into my research aims. For all of the above examples, the development of theory could not occur without equal progress in computational approaches. My future research will necessarily lean on my expertise in developing and managing scientific software.

Teaching Interests

My passion for teaching and mentoring has been integral to my academic journey. During my undergraduate and graduate studies, I engaged in various teaching roles. At Arizona State University, I began working in the science and engineering tutoring center in my first year (25 hours per week), served as a Residential Assistant in the Honors College dorms (1 year), and was a teaching assistant for a Reaction Engineering Course. At Caltech, I served as a Residential Assistant in the undergraduate dorms for four years and as a teaching assistant for a graduate-level Polymer Physics elective course.

My strong interest in pursuing these opportunities stems from my desire to help students grow just as my mentors and teachers did for me. For example, as a residential assistant, the most fulfilling part was playing a small part in the students’ journeys from first-years to landing jobs after graduation. In teaching or mentoring, I want to create an inclusive environment that challenges students without overwhelming them. Maintaining that balance requires me to recognize that every student learns differently and battles a different set of challenges. I must ask for and incorporate feedback, be understanding of and support each students’ goals, and lead by example in creating an inclusive environment.

My training has prepared me to teach all undergraduate and graduate courses in chemical engineering. Based on my research experience and aims, I am particularly suited to teach core chemical courses related to Thermodynamics and Statistical Thermodynamics. Beyond core classes, I am interested in developing and teaching two additional courses. 1) A course for undergraduates that bridges the gap between undergraduate coursework and the common computational tools/approaches used in computational research, focusing on data analysis, the basics of high-performance computing, and software management. 2) A course on the fundamentals of surface science, such as surface interactions, contact angles, wetting dynamics, and fluid jets.