HEYDEN LAB | Department of Chemical Engineering |
University
of South Carolina |
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Heyden Lab Fund To curb climate change, the world needs to decarbonize our economy and move towards use of renewable carbon sources. You can enhance graduate student research in these areas by philanthropic donations to the Heyden Lab. All check/stock transfers/charitable disbursements are to be made payable to: The University of South Carolina Educational Foundation Mailing address: University of South Carolina Office of Gift Processing 1600 Hampton Street, Suite 736 Columiba, SC 29208 Check memo: A32711 - Heyden Lab Fund EIN: 57-6017985 Gifts can also be made online by card using the link: https://donate.sc.edu/direct-your-gift In the "Search funds by fund name, department, college, or purpose:" box search "A32711" and the fund will poopulate. Research Our primary research interests are in the areas of nanomaterial science and heterogeneous (electro-) catalysis for energy conversion. Our goal is to use computer simulations to obtain a deeper - molecular - understanding of key catalysis issues in the long-duration energy storage in liquid hydrogen carriers, utilization of waste plastic and biomass carbon sources, utilization of light gases currently being flared, and CO2 capture, utilization, and storage. Ultimately, we aim to elucidate the physical effects that must be considered for the design and production of any selective heterogeneous (electro-) catalysts with a long lifetime. Due to the focus on renewable and waste resources and catalytic processes displaying a high selectivity, research aims at facilitating the development of more environmentally benign chemical processes and making better use of the world's limited resources. Despite
significant advances in computer algorithms and the increasing
availability of computational resources, molecular modeling and
simulation of large, complex systems at the atomic level remains a
challenge and is currently limited to relatively simple, well-defined
materials. To enable simulations of complex systems that accurately
reflect experimental observations, continued advances in modeling
potential energy surfaces and statistical mechanical sampling are
necessary. While studying systems relevant for catalysis, we develop
new theoretical and computational tools for the investigation of these
complex chemical systems. Our tool development efforts are at the
interface between engineering, chemistry, physics, and
computer science and are rooted
in classical, statistical, and quantum mechanics with a
special
focus on novel multiscale methods and uncertainty quantification.
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Nanomaterials and Catalysis | |||||||||
Multi-Scale Modeling | |||||||||
Solid-Liquid Interfaces | |||||||||
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