Bibliographical noteFunding Information:
Her research expertise lies in development and application of molecular models and computational techniques to study structure and thermodynamics in macromolecular materials. She has been using liquid state theory as well as stochastic and deterministic molecular simulations with appropriate atomistic/coarse-grained/hybrid models to design polymeric materials with new and improved properties for applications ranging from organic photovoltaics to optics and drug as well as gene delivery. She works synergistically with experimentalists to validate her computations, to elucidate the underlying mechanisms in the experimental observations, and to complete the cycle of design and engineering of novel polymers. Her research has been recognized with the Department of Energy (DOE) Early Career Research award (2010), AIChE COMSEF division Young Investigator award (2013), the ACS PMSE division Young Investigator recognition (2014), and the Saville Lectureship at Princeton University (2016). Professor Jayaraman’s enthusiasm and passion for research and teaching are evident in her recent Perspective published in Macromolecules on “Modeling and Simulations of Polymers: A Roadmap”, where she describes “best practices, key challenges, and important advances in model development/selection, computational method choices, advanced sampling methods, and data analysis, with the goal of educating potential polymer simulators about ways to improve the validity, usefulness, and impact of their polymer computational research”. (3) This Perspective is on our most read publications over the past 12 months!