HEYDEN LAB                        Department of Chemical Engineering      University of South Carolina


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:

In the "Search funds by fund name, department, college, or purpose:" box search "A32711" and the fund will poopulate.


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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