Numerous computational techniques exist, where the size of the system ranges from the m to the A scale, and computational investigations at each scale provide insight into materials processing. Unfortunately, disconnect exists between application of multi-scale modeling to component processing and device assembly, which is particularly disadvantageous for materials synthesis. Moreover, computational approaches enable both bottom-up and top-down directionality, which can enhance productivity through identifYing new materials, understanding crystal properties, and probing experimental observations. The goal of this seminar is to provide an overview of computational methods at each size scale, and case studies will be discussed.

Biographical Sketch:  Dr. Christin Morrow is a post-doctoral associate at the Ceramic and Composite Materials Center in the Department of Materials Science and Engineering at Rutgers University under the direction of Prof. Richard Haber. Her current work is focused on developing a multi-scale computational investigation of silicon carbide (SiC) and boron carbide (B₄C) interfaces through the employment of density functional theory (DFT) calculations and density functional theory molecular dynamics (DFT-MD) simulations. She received her B. S. from Marist College, Poughkeepsie, NY with a major in chemistry and a minor in mathematics. During that time, she participated in a Research Experience for Undergraduates (REU) program at Penn State University under the direction of Prof. Barbara Garrison, where she studied the diffusion of ions under high temperature and pressure regimes using classical MD simulations. She completed her M. S. and Ph. D. at Penn State University in theoretical chemistry, where her advisors were Prof. Garrison and then Profs. James Kubicki and Karl Mueller. Both her Master's and doctoral research examined the mechanisms of geochemical reactions occurring at the aqueous-mineral interface with particular focus on aluminum, magnesium, calcium, and nickel-containing silicate minerals.Numerous computational techniques e?Cist, where the size of the system ranges from the m to the A scale, and computational investigations at each scale provide insight into materials processing. Unfortunately, disconnect exists between application of multi-scale modeling to component processing and device assembly, which is particularly disadvantageous for materials synthesis. Moreover, computational approaches enable both bottom-up and top-down directionality, which can enhance productivity through identifYing new materials, understanding crystal properties, and probing experimental observations. The goal of this seminar is to provide an overview of computational methods at each size scale, and case studies will be discussed.

In addition to her research, Dr. Morrow actively participates in professional and community development efforts. In April 2009, she was the graduate student recipient of the Achieving Women A ward, one of the highest distinctions for female professionals within the Penn State community. This award honors women who exemplify strength in research, elevate women at Penn State, and serve their community. She also was the chair for the Government Affairs Committee in the Central PA Section of the American Chemical Society, where she advocated for increased science research and education funding to federal and state policymakers. Dr. Morrow was the chair of the planning committee for Voices 2009, an annual conference for women in the science, technology, engineering, and mathematics (STEM) fields that examines professional and personal development and includes men and women from industry, government, and academe. At Rutgers, she is the organizer of the DFT Users' Group, which aims to provide instruction and support for beginner and intermediate DFT users throughout the Rutgers community.

Host:  Richard Haber / Lisa Klein