Nicholas E. Jackson

University of Illinois Urbana-Champaign — United States

Materials Science · Physical Sciences

35h-index4.6kcitations174works2.82yr avg
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Research Topics

Machine Learning in Materials Science(47), Organic Electronics and Photovoltaics(33), Conducting polymers and applications(28), Molecular Junctions and Nanostructures(23), Computational Drug Discovery Methods(18)

Publications174 total

Generative Multi-Property Refinement of Polymer Chemistries
2026Open Access
A Theory of Electronic Structure for Coarse-Grained Resolutions
2026Open Access
Computational Exploration of the Structure and Mechanical Behaviour of Hybrid Epoxy-Acrylate Dual-Cure Systems †
2026Open Access
On the Prospect of Chemically Transferable Coarse-Grained Electronic Models for Soft Materials
2026Open Access
Frontier-Orbital Predictions from Coarse-Grained Geometries with Physics-Constrained Neural Hamiltonians
2026Open Access
Machine-learning graph convolutional electronic propagators
The Journal of Chemical Physics·2026
Molecular Charge Topologies Govern Polar Nematic Ordering
Journal of the American Chemical Society·2025· 1 cited
A Novel Unadjuvanted Subunit Respiratory Syncytial Virus Prefusion F Vaccine Induces Potent and Differentiated Functional Immune Responses Compared to AS01-Adjuvanted Arexvy in Older Adults
Open Forum Infectious Diseases·2025Open Access
Electrochemical Formation of Covalent Au-C Anchors for Molecular Electronics
ECS Meeting Abstracts·2025
Machine learning intermolecular electronic couplings: Opportunities and challenges
APL Computational Physics·2025Open Access
Conformation-Mediated Doping in P3HT:F4TCNQ Dimers from Density Functional Theory
The Journal of Physical Chemistry A·2025
Molecular Charge Topologies Govern Polar Nematic Ordering
2025
All-Atom Reactive Monte Carlo Molecular Dynamics for Molecular Doping in Organic Semiconductors
Journal of Chemical Theory and Computation·2025
Machine Learning Graph Convolutional Electronic Propagators
2025
Computational Insights into the Salt-Induced Modulation of Electron Transporting Conjugated Polyelectrolytes
2025
Electrochemically Mediated Au–C(sp<sup>2</sup>) Anchors for Molecular Electronics
The Journal of Physical Chemistry C·2025
A Machine Learning Model for Copolymer Radical Reactivity Ratio Predictions with Frontier-Orbital Insights
Chemistry of Materials·2025
Ubiquitous Chiral Symmetry Breaking of Conjugated Polymers via Liquid–Liquid Phase Separation
Journal of the American Chemical Society·2025· 1 cited
The Future of Artificial Intelligence and the Mathematical and Physical Sciences (AI+MPS)
arXiv (Cornell University)·2025Open Access
Machine Learning Intermolecular Electronic Couplings: Opportunities and Challenges
2025Open Access
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Frequent Co-authors

Juan Pablo(21), Lin X. Chen(15), Mark A. Ratner(12), Brett M. Savoie(9), Tobin J. Marks(7), Matthew Tirrell(6), Michael A. Webb(5), Artem M. Rumyantsev(5), Kevin L. Kohlstedt(4), Boyuan Yu(4), Venkatram Vishwanath(4), Charles M. Schroeder(4), Ganesh Sivaraman(4), Mónica Olvera de la Cruz(3), George C. Schatz(3), Michael W. Mara(3), Jeffrey Ting(3), Alec Bowen(3), M. D. Ediger(3), Dean M. DeLongchamp(2)