HPC MSU
Name:Neeraj Rai
Associated Centers:Center for Advanced Vehicular Systems
Position:Faculty
Email: neerajrai@che.msstate.edu

Publications: 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.

Total Publications by this Author: 30