Publications by K. Wm. Hall
Refereed Journal Publications
Refereed Journal Publications
- L. Wang, K. Wm. Hall, Z.-C. Zhang and P. G. Kusalik, Mixed hydrate nucleation: molecular mechanisms and cage structures, Journal of Physical Chemistry B 126(36): 7015 - 7026, 1 September 2022.
- S. Liang, K. Wm. Hall, A. Laaksonen, Z.-C. Zhang and P. G. Kusalik, Characterizing key features in the formation of ice and gas hydrate systems, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 377(2146): 20190138 (28 pp.), 15 April 2019.
- K. Wm. Hall, Z.-C. Zhang, C. J. Burnham, G.-J. Guo, S. Carpendale, N. J. English and P. G. Kusalik, Does local structure bias how a crystal nucleus evolves?, Journal of Physical Chemistry Letters 9(24): 6991 - 6998, 28 November 2018.
- K. Wm. Hall, Z.-C. Zhang and P. G. Kusalik, Unraveling mixed hydrate formation: Microscopic insights into early stage behavior, Journal of Physical Chemistry B 120(51): 13218 - 13223, 2 December 2016.
- K. Wm. Hall, S. Carpendale and P. G. Kusalik, Evidence from mixed hydrate nucleation for a funnel model of crystallization, Proceedings of the National Academy of Sciences of the United States of America 113(43): 12041 - 12046, 25 October 2016.
- K. Wm. Hall, C. Perin, P. G. Kusalik, C. Gutwin and S. Carpendale, Formalizing emphasis in information visualization, Computer Graphics Forum 35(3): 717 - 737, 1 June 2016.
- E. Codorniu-Hernández, K. Wm. Hall, A. D. Boese, D. Ziemianowicz, S. Carpendale and P. G. Kusalik, Mechanism of O(3P) formation from a hydroxyl radical pair in aqueous solution, Journal of Chemical Theory and Computation 11(10): 4740 - 4748, 28 August 2015.
- E. Codorniu-Hernández, K. Wm. Hall, D. Ziemianowicz, S. Carpendale and P. G. Kusalik, Aqueous production of oxygen atoms from hydroxyl radicals, Physical Chemistry Chemical Physics 16(47): 26094 - 26102, 22 October 2014.
2022
2019
2018
2016
2015
2014
- K. Wm. Hall, E. Codorniu-Hernández, P. G. Kusalik and S. Carpendale, ERICAs: Enabling insights into ab initio molecular dynamics simulations, 17 April 2015, Proceedings of IEEE Pacific Visualization Symposium 2015: 105 - 109, Hangzhou, P. R. China, 14 Apr 2015 - 17 Apr 2015, Published by IEEE.
2015
- K. Wm. Hall, Interweaving computational chemistry and visualization: Explorations into molecular processes, simulation analysis, and visualization design (PhD Thesis), 31 May 2017.
2017