2023-2024 Frontera Fellows Cohort — Welcome Aboard!TACC’s Frontera Computational Science Fellowship for 2023-2024 commenced in Juneby: Damian HopkinsPublished: Aug. 7, 2023 Q&AFronterashare this:A big welcome to TACC’s Frontera Computational Science Fellowship awardees for 2023-2024. The program provides a year-long opportunity for talented graduate students to compute on the most powerful academic supercomputer in the world and collaborate with experts at TACC.We caught up with the 2023-2024 cohort to hear about their expectations heading into the program, what excites them most about working on the Frontera supercomputer, and what they hope to accomplish during their time in the Fellowship. Hannah ScottSchool: West Virginia UniversityField of Research: PhD candidate, ChemistryWhy did you become a scientist?As a child, every question that I had about how the world worked could be answered with science. As I grew up and progressed in my education, I learned that there are many aspects of science yet to be discovered and many questions left unanswered. As a scientist, I can uncover new discoveries and provide answers to phenomena that are unknown.What is your favorite aspect of your research?My work uses molecular dynamics to study the mechanisms of membrane-active peptides. Molecular dynamics is a highly accessible method of study which can be performed using open-source programs that run on personal computers. This gives everyone the ability to dive deeper into science and explore interesting topics by using computational simulations.What excites you most about the opportunity to work on the Frontera supercomputer?The power of the Frontera supercomputer will allow my research to progress at a faster pace. The speed of Frontera will allow me to broaden aspects of my research projects. I’m excited to see the outcomes of my research and the impacts that it may have in the scientific community.What do you hope to accomplish during your time as a Frontera Fellow?I look forward to learning from TACC experts on how to apply the latest tools in advanced computing to my research. I want to use this opportunity to present my findings at conferences and network with others in the scientific community.What do you like to do when you aren’t working on research?My sister and I are learning woodworking and how to crochet to relax and challenge our minds. Crafting provides me with a similar fulfillment that I feel through research because it requires planning and creative thinking to start a project and overcome challenges. Sabina SagynbayevaSchool: Stony Brook UniversityField of Research: PhD candidate, AstrophysicsWhy did you become a scientist?During my freshman year at Nazarbayev University, I realized that I could use math to understand stars and planets and the physics of outer space. In 2019, I did an internship at the University of Cambridge, and that’s where I fell in love with planets and the origins of their formation.What is your favorite aspect of your research?I get to study planets — the best objects in the universe — by using math and computational techniques. I love how statistical techniques can help us detect planets and understand complicated features on the surfaces of stars.What excites you the most about the opportunity to work on the Frontera supercomputer?Frontera’s immense processing power and vast memory capacity open a new realm of possibilities for tackling complex and computationally intensive problems like full hydrodynamical simulations of planet formation in protoplanetary disks. I’m excited about collaborating with experts in the field of HPC from various domains.What do you hope to accomplish during your time as a Frontera Fellow?I hope to understand how satellites form around planets.What do you like to do when you aren’t working on research?I’ve played instruments since I was seven years old. I can play the piano and guitar, and I write songs. I also love reading fantasy novels. Stephanie CorioSchool: Binghamton UniversityField of Research: PhD candidate, Organic ChemistryWhy did you become a scientist?My interest in becoming a chemist was piqued during my undergraduate organic chemistry courses at Stony Brook University. Research in organic chemistry seemed like the ideal way to engage in perpetual learning and exercise critical and creative thinking.What is your favorite aspect of your research?My research focuses on using theoretical techniques in conjunction with kinetic isotope effects to probe the fine mechanistic details of organometallic and photoredox reactions, a branch of photochemistry that uses single-electron transfer. I love analyzing the energy landscape of a reaction and using mechanistic insights to make predictions regarding selectivity and reaction outcomes that can be validated experimentally.What excites you the most about the opportunity to work on the Frontera supercomputer?I’m excited to use Frontera for extensive in-silico modeling of key transition state structures in the catalytic cycles of various organic reactions. This will enable me to explain the mechanisms of these transformations and identify the parameters affecting the catalytic ability and stereoselectivity of organometallic reactions.What do you hope to accomplish during your time as a Frontera Fellow?I want to advance my research exploring reaction mechanisms and use insights gained to develop computational tools that will be useful for the larger synthetic organic community. I want to aid experimentalists in the design and discovery of novel catalysts using machine learning approaches. I also look forward to collaborating with the Frontera community, acquiring new techniques, and learning how computing is utilized across other fields.What do you like to do when you aren’t working on research?I enjoy spending time outdoors, dancing, baking, and drawing. Zuzanna JedlinskaSchool: University of PennsylvaniaField of Research: PhD candidate, Computational PhysicsWhy did you become a scientist?When learning about a new phenomenon, I love studying the detailed mechanism behind it. I want to have a deep understanding of topics and feel that I have fully grasped the concept. I became a scientist to ensure that when a phenomenon is not yet fully understood, I can be the one to research it and provide an explanation.What is your favorite aspect of your research?Programming is the creative process of translating real-world phenomena into code, and I love it. To be useful, the code not only needs to be correct but also fast and efficient. Code design is an art form.What excites you the most about the opportunity to work on the Frontera supercomputer?The Frontera Fellowship is an opportunity to discuss my ideas with experts in the field and learn from them, as I am self-taught when it comes to programming. Having access to Frontera will provide me with the necessary hardware to develop multi-GPU (graphics processing unit) applications and extend the existing code.What do you hope to accomplish during your time as a Frontera Fellow?I want a deeper understanding of the interplay between computer hardware and software. I also want to better understand the limitations of certain algorithms and develop the insight necessary for code optimization.What do you like to do when you aren’t working on research?If I’m not in the office, I’m likely at a climbing gym. Rock climbing is great for exercising and keeps your brain engaged by making you figure out the correct sequence of moves.Learn more about the Frontera Fellowship program.