Publications of the HPC²

Publications by HPC centers and institutes include items from past years such as an early publication written by one of the HPC founding investigators, Dr. Joe Thompson. Numerical Grid Generation was originally published by Elsevier Science Publishing Co., Inc. in 1985, and the copyright was transferred to Joe F. Thompson in 1997.

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Publications for: Rai
Peer-Reviewed Journals
Goel, H., Ling, S., Ellis, B. N., Taconi, A., Slater, B., & Rai, N. (2018). Predicting Vapor Liquid Equilibria Using Density Functional Theory: A Case Study of Argon. J. Chemical Physics. 148, 224501.

Baumann, A., Cheema, H., Sabuj, M. A., McNamara, L. E., Zhang, Y., Peddaouram, A., Nguyen, S. T., Watkins, D. L., Hammer, N. I., Rai, N., & Delcamp, J. H. (2018). Iodine Binding with Thiophene and Furan Based Dyes for DSCs. Physical Chemistry Chemical Physics. 20, 17859-17870.

Newcomb, K., Tiwari, S. P., Rai, N., & Maginn, E. J. (2018). A Molecular Dynamics Investigation of Actinyl-ligand Speciation in Aqueous Solution. Physical Chemistry Chemical Physics. 20, 15753-15763.

Goel, H., & Rai, N. (2018). Transferable Potentials for Chloroethenes: Insights into Nonideal Solution Behavior of Environmental Contaminants. ACS Omega. 3, 3646-3654.

Goel, H., Windom, Z. W., Jackson, A., & Rai, N. (2018). Performance of Density Functionals for Modeling Vapor Liquid Equilibria of CO2 and SO2. J. Computational Chemistry. 39, 397-406.