HPC MSU
Name:Steven R. Gwaltney
Associated Centers:Center for Computational Sciences
Position:Faculty
Email: sgwaltney@chemistry.msstate.edu
Office:High Performance Computing Building, A217
Office Phone:(662) 325-7602
Address:Box 9573
Mississippi State, MS 39762

Publications: Bowman, A., Mun, S., Nouranian, S., Huddleston, B. D., Gwaltney, S. R., Baskes, M. I., & Horstemeyer, M. (2019). Free Volume and Internal Structural Evolution during Creep in Model Amorphous Polyethylene by Molecular Dynamics Simulations. Polymer. Elsevier. 170, 85-100. [Abstract] [Document Site]

Dickel, D. E., Gwaltney, S. R., Mun, S., Baskes, M. I., & Horstemeyer, M. (2018). Dispersion-Corrected Modified Embedded-Atom Method Bond Order Interatomic Potential for Sulfur. Journal of Physical Chemistry A. 122(49), 95729578. DOI:10.1021/acs.jpca.8b07410.

Murphy, M. A., Horstemeyer, M., Gwaltney, S. R., Stone, T.W., LaPlaca, M., Liao, J., Williams, L. N., & Prabhu, R. (2016). Nanomechanics of Phospholipid Bilayer Failure under Strip Biaxial Stretching Using Molecular Dynamics. Modelling and Simulation in Materials Science and Engineering. 24(5), 055008. DOI:10.1088/0965-0393/24/5/055008.

Rehman, H. U., & Gwaltney, S. R. (2016). The Role of Mutations at the Side Door on the Thermal Stability and Structural Flexibility of the PnbCE Enzyme. Zeitschrift für Physikalische Chemie. 230(5-7), 837–849. DOI:10.1515/zpch-2015-0708.

Chambers, J. E., Chambers, H. W., Meek, E. C., Funck, K. E., Bhavaraju, M., Gwaltney, S. R., & Pringle, R. B. (2015). Novel Nucleophiles Enhance the Human Serum Paraoxonase 1 (PON1)-mediated Detoxication of Organophosphates. Toxicological Sciences. 143(1), 46-53. DOI:10.1093/toxsci/kfu205.

Total Publications by this Author: 78