de Pablo Group

Nick Jackson

Nick is currently a Maria Goeppert Mayer Fellow in the Materials Science Division at Argonne National Laboratory. He also holds a visiting scientist position in the laboratory of Juan de Pablo at the University of Chicago. His current research concerns the development and application of computational algorithms for the multiscale design of soft materials. This work is coupled with active experimental collaborations with Matt Tirrell's group on the study of polyelectrolyte brushes and Mark Ediger's group on characterizing vapor-deposited molecular glasses.

Nick's graduate work was performed at Northwestern University under the guidance of Mark Ratner and Lin Chen, with funding from a NSF Graduate Research Fellowship Program Fellowship and a Northwestern Presidential Fellowship. From 2011 to 2016 he worked on the development of graph theoretic methods for characterizing optoelectronic networks in soft materials. Nick also collaborated with George Schatz and Monica Olvera de la Cruz on the atomistic simulation of conjugated copolymers and with Tobin Marks on the design of organic photovoltaic materials. Nick holds a BA in physics from Wesleyan University, where he worked with Professor Fred Ellis on vortex drag in superfluid Helium II.

Nick's research concerns the development and application of multiscale theoretical and computational methods to design sustainable soft materials with advanced electronic, ionic, and optical functionalities. Unique to his approach is a combined expertise in the quantum-mechanical simulation of chemical processes, the multiscale modeling of soft materials, and the application of machine learning algorithms to molecular systems, with experimental collaborations underscoring the majority of his work.

A diversified machine learning strategy for predicting and understanding molecular melting points

Jackson, Nicholas, et al. "A diversified machine learning strategy for predicting and understanding molecular melting points." (2019).

Controlling Complex Coacervation via Random Polyelectrolyte Sequences

Rumyantsev, Artem M., et al. "Controlling Complex Coacervation via Random Polyelectrolyte Sequences." ACS Macro Letters 8.10 (2019): 1296-1302.

New frontiers for the materials genome initiative

Juan J. de Pablo, Nicholas E. Jackson, Michael A. Webb, Long-Qing Chen, Joel E. Moore, Dane Morgan, Ryan Jacobs, Tresa Pollock, Darrell G. Schlom, Eric, S. Toberer, James Analytis, Ismaila Dabo, Dean M. DeLongchamp, Gregory A. Fiete, Gregory M. Grason, Geoffroy Hautier, Yifei Mo, Krishna Rajan, Evan J. Reed, Efrain Rodriguez, Vladan Stevanovic, Jin Suntivich, Katsuyo Thornton, Ji-Cheng Zhao. New frontiers for the materials genome initiative. npj Computational Materials. 2019. Vol. 5, Pg. 41.

Electronic structure at coarse-grained resolutions from supervised machine learning

Jackson, Nicholas E., et al. "Electronic structure at coarse-grained resolutions from supervised machine learning." Science advances 5.3 (2019): eaav1190.

Recent advances in machine learning towards multiscale soft materials design

Jackson, Nicholas E., Michael A. Webb, and Juan J. de Pablo. "Recent advances in machine learning towards multiscale soft materials design." Current Opinion in Chemical Engineering 23 (2019): 106-114.

Origin of Anisotropic Molecular Packing in Vapor-Deposited Alq3 Glasses

Bagchi, Kushal, et al. "Origin of Anisotropic Molecular Packing in Vapor-Deposited Alq3 Glasses." The journal of physical chemistry letters 10.2 (2018): 164-170.

Structural Correlations and Percolation in Twisted Perylene Diimides Using a Simple Anisotropic Coarse-Grained Model

Bowen, Alec S., et al. "Structural Correlations and Percolation in Twisted Perylene Diimides Using a Simple Anisotropic Coarse-Grained Model." Journal of chemical theory and computation 14.12 (2018): 6495-6504.

Layered nested Markov chain Monte Carlo

Jackson, Nicholas E., Michael A. Webb, and Juan J. de Pablo. "Layered nested Markov chain Monte Carlo." The Journal of chemical physics 149.7 (2018): 072326.

Aggregation and Solubility of a Model Conjugated Donor–Acceptor Polymer

Reid, Daniel R., et al. "Aggregation and Solubility of a Model Conjugated Donor–Acceptor Polymer." The journal of physical chemistry letters 9.16 (2018): 4802-4807.

Multivalent counterions diminish the lubricity of polyelectrolyte brushes

J. Yu, N. E. Jackson, X. Xu, Y. Morgenstern, Y. Kaufman, M. Ruths, J. J. de Pablo, M. Tirrell. Multivalent counterions diminish the lubricity of polyelectrolyte brushes. Science . 2018. Vol. 360, Pg. 1434-1438.

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