Publications

Property Decoupling across the Embryonic Nucleus–Melt Interface during Polymer Crystal Nucleation
K. Wm. Hall, S. Percec, M. Klein & W. Shinoda
Journal of Physical Chemistry B 124, 4793-4804 (2020)

Coexistence of Lipid Phases Stabilizes Interstitial Water in the Outer Layer of Mammalian Skin
C. M. MacDermaid, K. Wm. Hall, R. H. DeVane, M. L. Klein & Giacomo Fiorin
Biophysical Journal 118, 1588 (2020)

Monodisperse Polymer Melts Crystallize via Structurally Polydisperse Nanoscale Clusters
K. Wm. Hall, T. W. Sirk, S. Percec, M. Klein & W. Shinoda
Polymers 12(2), 447 (2020)

Design by Immersion: A Transdisciplinary Approach to Problem-Driven Visualizations
K. Wm. Hall, A. J. Bradley, U. Hinrichs, S. Huron, J. Wood, C. Collins & S. Carpendale
IEEE TVCG (IEEE VIS 2019), 26, 109-118 (2020)

Divining the Shape of Nascent Polymer Crystal Nuclei
K. Wm. Hall, T. W. Sirk, S. Percec, M. Klein & W. Shinoda
Journal of Chemical Physics 151, 144901 (2019)

A Coarse-Grain Model for Entangled Polyethylene Melts and Polyethylene Crystallization
K. Wm. Hall, T. W. Sirk, M. L. Klein & W. Shinoda
Journal of Chemical Physics 150, 244091 (2019)

Characterizing Key Features in the Formation of Ice and Gas Hydrate Systems
S. Liang, K. Wm. Hall, A. Laaksonen, Z. Zhang & P. G. Kusalik
Philosophical Transactions of the Royal Society A 377, 20180167 (2019)

Polymer Nucleation under High-Driving Force, Long-Chain conditions: Heat Release and the Separation of Time Scales
K. Wm. Hall, S. Percec & M. L. Klein
Journal of Chemical Physics 150, 114901 (2019)

Does Local Structure Bias How a Crystal Nucleus Evolves?
K. Wm. Hal1, Z. Zhang, C. J. Burnham, G.-J. Guo, S. Carpendale, N. J. English & P. G. Kusalik
Journal of Physical Chemistry Letters 9, 6991-6998 (2018)

Unraveling Mixed Hydrate Formation: Microscopic Insights into Early Stage Behavior
K. Wm. Hall, Z. Zhang & P. G. Kusalik
Journal of Physical Chemistry B 120, 13218-13223 (2016)

Evidence from Mixed Hydrate Nucleation for a Funnel Model of Crystallization
K. Wm. Hall, S. Carpendale & P. G. Kusalik
Proceedings of the National Academy of Sciences (PNAS) 113, 12041-12046 (2016)

Formalizing Emphasis in Information Visualization
K. Wm. Hall, C. Perin, P. G. Kusalik, C. Gutwin & S. Carpendale
Computer Graphics Forum (EuroVis STAR) 35, 717-737 (2016)

Telling Stories about Dynamic Networks with Graph Comics
B. Bach,* N. Kerracher,* K. Wm. Hall,* S. Carpendale, J. Kennedy & N. Henry
CHI 2016, 3670-3682 (2016)
*As stated in the paper, the first three authors (of whom I am one) contributed equally to the discussion and development of the ideas in this paper.

Mechanism of O(3P) Formation from a Hydroxyl Radical Pair in Aqueous Solution
E. Codorniu-Hernández, K. Wm. Hall, A. D. Boese, D. Ziemianowicz, S. Carpendale & P. G. Kusalik
Journal of Chemical Theory and Computation 11, 4740-4748 (2015)

Algorithms for GPU-based Molecular Dynamics Simulations of Complex Fluids: Applications to Water, Mixtures, and Liquid Crystals
S. Kazachenko, M. Giovinazzo, K. Wm. Hall & N. M. Cann
Journal of Computational Chemistry 36, 1787-1804 (2015)

ERICAs: Enabling Insights into ab initio Molecular Dynamics Simulations
K. Wm. Hall, E. Codorniu-Hernández, P. G. Kusalik & S. Carpendale
IEEE Pacific Visualization Symposium (PacificVis) 2015, 105-109 (2015)

Aqueous Production of Oxygen Atoms from Hydroxyl Radicals
E. Codorniu-Hernández, K. Wm. Hall, D. Ziemianowicz, S. Carpendale & P. G. Kusalik
Physical Chemistry Chemical Physics 16, 26094 – 26102 (2014)

On Simulations of complex interfaces: Molecular dynamics simulations of stationary phases
K. Hall, M. Ashtari & N. M. Cann
Journal of Chemical Physics 136, 114705-1 (2012)