Pablo Palafox

Post Doctoral Researcher
Primary office:
785-864-4158
Malott Hall


Pablo Palafox is currently conducting molecular simulations, Molecular Dynamics and Monte Carlo, to predict phase equilibria for multicomponent systems of industrial interests. This is part of a broader effort to design environmentally sustainable catalytic processes for the industrial synthesis of commodity chemicals at the Center for Environmentally Beneficial Catalysis (CEBC).  In his previous postdoctoral positions, Pablo has performed research in bio-inorganic computational research at the Institute for Frontier Materials (IFM) in Australia, and Soft-Matter and Interfaces at Duke University. He received his doctoral degree in Physical Chemistry from the University of Kansas (2011), a MS in Chemical & Petroleum Engineering from Celaya Institute of Technology (2004), and BS in Chemical Engineering from The Autonomous University of Guadalajara (2001).

Selected Publications

J. P. Palafox-Hernandez, B. B. Laird, Orientation dependence of heterogeneous nucleation at the Cu–Pb solid-liquid interface, Journal of Chemical Physics, 2016, 145, 211914.

L. Wright, J. P. Palafox-Hernandez, P. M. Rodger, S. Corni, and T. Walsh, Facet selectivity in gold binding peptides: exploiting interfacial water structure, Chemical Science, 2015, 6, 5204.

J. P. Palafox-Hernandez, Z. Tang, Z. E. Hughes, Y. Li, M. T. Swihart, P. N. Prasad, T. R. Walsh and M. R. Knecht, Comparative Study of Materials-Binding Peptide Interactions with Gold and Silver Surfaces and Nanostructures: A Thermodynamic Basis for Biological Selectivity of Inorganic Materials, Chemistry Materials, 2014, 26, 4960.

Z. Tang*, J. P. Palafox-Hernandez*, W.-C. Law, Z. E. Hughes, M. T. Swihart, P. N. Prasad, M. R. Knecht and T. R. Walsh, Biomolecular Recognition Principles for Bionanocombinatorics: An Integrated Approach to Elucidate Enthalpic and Entropic Factors, ACS Nano, 2013, 7, 9632. *Equal contributors.

J. P. Palafox-Hernandez, B.B. Laird, Mark Asta, Atomistic characterization of the Cu–Pb solid–liquid interface, Acta Materialia, 2011, 59, 3137–3144.

Selected Presentations

J. P. Palafox-Hernandez and T. Walsh, Conformational Effects of Histidine Protonation on Gold- Peptide Adsorption, oral presentation, Materials Research Society, Dec 2014, Boston, MA.

J. P. Palafox-Hernandez and T. Walsh, Towards and Atomistic Understanding of Binding Principles for Gold-Binding Peptides, poster presentation, ICFPAM, Dec 2013, Auckland, New Zealand

J. P. Palafox-Hernandez and T. Walsh, Towards and Atomistic Understanding of Binding Principles for Gold-Binding Peptides, Materials Research Society, Dec 2013, Boston, MA.

J.P. Palafox-Hernandez, B.B. Laird, and Mark Asta, Atomistic modeling of chemically heterogeneous interfaces, oral presentation, Department of Mathematics & Statistics Colloquium, University of North Carolina Wilmington, March 6, 2012, Wilmington, NC.

Selected Awards & Honors

• Best Oral Presentation Award, Symposium A: Modeling and Theory-Driven Design 2013 of Soft Materials, MRS Boston MA.

 • The Paul and Helen Gilles Award in Physical Chemistry (Superior academic performance and research accomplishments by an advance doctoral student). KU Lawrence, KS. 2009

• CONACYT Fellowship 2002–2004 (Mexican equivalent to NSF) ITC Celaya, Gto. México.

• Graduated with honors and Best GPA in Chemistry Department 2001 UAG. Guadalajara, Jal. México.


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