About

George Schatz is a Professor of Chemistry and (by courtesy) Chemical and Biological Engineering at Northwestern University. He holds a BS from Clarkson University and a PhD from the California Institute of Technology. His research interests encompass theory, nanoscience, plasmonics and excitonics, self-assembly, and catalysis. Schatz has received numerous significant recognitions, including being an Alfred P. Sloan Fellow, Dreyfus Fellow, and a Fellow of the American Physical Society, the American Association for the Advancement of Science, and the American Academy of Arts and Sciences. He is also a member of the National Academy of Sciences and has been awarded the Max Planck Research Award, among other honors. Schatz has contributed to the scientific community through his research on linking gold nanoparticles, polymers, and molecules using DNA, calculating molecular optical properties through coupled classical electrodynamics and quantum mechanics, and exploring the size dependence of surface plasmon resonances, among other topics.

Research topics

• Materials science
• Nanotechnology
• Chemistry
• Organic chemistry
• Computer Science
• Composite material
• Engineering
• Chemical engineering
• Physics
• Photochemistry
• Optoelectronics
• Crystallography
• Optics
• Biology
• Physical chemistry
• Biochemical engineering
• Medicinal chemistry
• Management science
• Data science
• Polymer chemistry
• Electrical engineering
• Atomic physics
• Molecular physics
• Biochemistry

Selected publications

• Autoionizing excited states of N₂ using complex-basis function spin-flip coupled cluster theory

  AIP Publishing · 2026-01-01

  otherOpen accessSenior author

  Collision induced autoionizing excited states play an important role in plasma formation through associative ionization, where excited states lie in resonance with the continuum. In this work, we compute the autoionization widths of various doubly excited states of the N₂ molecule using equation-of-motion coupled-cluster theory combined with complex basis functions. This study represents the first application of spin-flip methods to doubly excited autoionizing states, enabled by a newly developed computational protocol based on Kaufmann basis functions. We apply this protocol to N2 and determine the widths of the 3Σg+, 3−4 3Π_u and 2 3∆_g states, which are potential contributors to the associative ionization process. Our results establish the complex basis function- based spin-flip method as a reliable and systematically improvable approach for resonance width calculations, opening avenues for its application to a broader class of autoionizing states in molecular systems.

  PublisherDOI

• Autoionizing excited states of N₂ using complex-basis function spin-flip coupled cluster theory

  AIP Publishing · 2026-01-01

  otherOpen accessSenior author

  Collision induced autoionizing excited states play an important role in plasma formation through associative ionization, where excited states lie in resonance with the continuum. In this work, we compute the autoionization widths of various doubly excited states of the N₂ molecule using equation-of-motion coupled-cluster theory combined with complex basis functions. This study represents the first application of spin-flip methods to doubly excited autoionizing states, enabled by a newly developed computational protocol based on Kaufmann basis functions. We apply this protocol to N2 and determine the widths of the 3Σg+, 3−4 3Π_u and 2 3∆_g states, which are potential contributors to the associative ionization process. Our results establish the complex basis function- based spin-flip method as a reliable and systematically improvable approach for resonance width calculations, opening avenues for its application to a broader class of autoionizing states in molecular systems.

  PublisherDOI

• Lithium metal-mediated electrochemical reduction of per- and poly-fluoroalkyl substances

  Nature Chemistry · 2026-01-20 · 3 citations

  article
  PublisherDOI

• Supporting Information for "Autoionizing excited states of N_$2$ using complex-basis function spin-flip coupled cluster theory"

  AIP Publishing · 2026-01-01

  datasetOpen accessSenior author

  It includes additional com- putational details, including the choice of atomic ba- sis sets, the CBF-based trajectory analysis, and the CASSCF reference configurations for the excited states.

  PublisherDOI

• Supporting Information for "Autoionizing excited states of N_$2$ using complex-basis function spin-flip coupled cluster theory"

  AIP Publishing · 2026-01-01

  datasetOpen accessSenior author

  It includes additional com- putational details, including the choice of atomic ba- sis sets, the CBF-based trajectory analysis, and the CASSCF reference configurations for the excited states.

  PublisherDOI

• Autoionizing excited states of N2 using complex-basis function spin-flip coupled cluster theory

  The Journal of Chemical Physics · 2026-01-07

  articleSenior author

  Collision-induced autoionizing excited states play an important role in plasma formation through associative ionization, where excited states lie in resonance with the continuum. In this work, we compute the autoionization widths of various doubly excited states of the N2 molecule using equation-of-motion coupled-cluster theory combined with complex basis functions. This study represents the first application of spin-flip methods to doubly excited autoionizing states, enabled by a newly developed computational protocol based on Kaufmann basis functions. We apply this protocol to N2 and determine the widths of the Σg+3, 3-43Πu, and 23Δg states, which are potential contributors to the associative ionization process. Our results establish the complex basis function-based spin-flip method as a reliable and systematically improvable approach for resonance width calculations, opening avenues for its application to a broader class of autoionizing states in molecular systems.

  PublisherDOI

• Quantum Theory of Surface Lattice Resonances

  Nanophotonics · 2026-02-01

  preprintOpen access

  ABSTRACT The collective interactions of nanoparticles arranged in periodic structures give rise to high‐ in‐plane diffractive modes known as surface lattice resonances. Although these resonances and their broader implications have been extensively studied within the framework of classical electrodynamics and linear response theory, a quantum optical theory capable of describing the dynamics of these structures, especially in the presence of material nonlinearities beyond ad hoc few‐mode approximations, is largely missing. To this end, we consider a lattice of metallic nanoparticles coupled to the electromagnetic field and derive the quantum input–output relations within the electric dipole approximation. As applications, we analyze coupling between the nanoparticle array and external quantum emitters, and show how the formalism extends to molecular optomechanics, where the high ‐factors of SLRs enable coupling to collective vibrational modes. We further consider arrays composed of saturable excitonic emitters, demonstrating how emitter nonlinearities can be used to switch the SLR condition between electronic transitions. Using a perturbative approach that accounts for population dynamics, we show how these effects can be probed in pump–probe experiments and give rise to nonlinear phase‐matching phenomena. Our work provides a microscopic framework for modeling SLRs interacting with quantum emitters without phenomenological descriptions of the electromagnetic environment.

  PublisherDOI

• Atomically Precise Nanoclusters as SERS Probes

  Nano Letters · 2026-03-13

  articleCorresponding

  Atomically precise nanoclusters (NCs) exhibit molecule-like fingerprints, yet their Raman response is usually buried under intense luminescence. Herein, we report the use of surface-enhanced Raman spectroscopy (SERS) to probe the molecular nature of the stable eight-electron silver NC, [Ag17(o1-carboranethiolate)12]3– (abbreviated as Ag17), by integrating it with plasmonic gold nanotriangles (Au NTs), forming an Ag17@Au NT nanohybrid. This is the first demonstration of an atomically precise NC functioning as a stable next-generation Raman probe under harsh laser conditions. Synergistic electromagnetic (EM) and chemical enhancement (CE) mechanisms yield an overall enhancement factor of up to ∼6 × 105, with ∼2 × 102 attributed to CE, consistent with time-dependent density functional theory (TDDFT) calculations. TDDFT reproduces the observed spectra and reveals low-lying hybrid charge-transfer excited states, underpinning the CE pathway. Plasmonic confinement and charge transfer cooperatively amplify the Raman scattering of the Ag–Ag bonds and carborane framework at the nanoscale junctions of the Ag17@Au NT nanohybrid.

  PublisherDOI

• Semiclassical analytic theory of multi-channel electronic energy transfer in nonadiabatic atomic collisions

  The Journal of Chemical Physics · 2025-12-10

  articleSenior author

  The semiclassical theory of nonadiabatic energy transfer [Adamovich and Rich, J. Chem. Phys. 160, 194101 (2024)] is extended to include multi-channel electronic excitation and quenching in three-dimensional atomic collisions. The transition probabilities, cross sections, and rate coefficients predicted by the theory are compared with high-fidelity quantum scattering predictions for N + N, using state-of-the-art ab initio interaction potentials and nonadiabatic couplings, and with a few available experiments. The theory predictions are in good agreement with quantum scattering, both for conditions where the energy transfer is dominated by a single pair of adiabatic potentials and in cases where the energy transfer is affected by additional intermediate states. These cases include multiple curve crossings encountered during a single collision and pathways with the formation of closed channels, resulting in multiple resonances. The latter case is of particular interest, since it cannot be reduced to the interaction of individual potential pairs. Analytic expressions for the cross sections and rate coefficients are obtained using the same approach as in our previous work. The results quantify the effect of multi-channel interactions on the dynamics of energy transfer in atomic collisions. This approach can also be used to predict rate coefficients for electronic energy transfer in N + O and O + O collisions, as well as other atomic species collisions, such as involving Ar or He, over a wide range of temperatures. The fidelity of the theory predictions depends on the availability of accurate potentials for the interacting excited electronic states and their coupling (both spin-orbit and derivative). The results provide rate coefficients for the predictive simulation of low-temperature plasmas and plasmas generated behind hypersonic shock waves.

  PublisherDOI

• Modifying the Optical Emission of Vanadyl Phthalocyanine via Molecular Self-Assembly on van der Waals Materials

  ArXiv.org · 2025-09-05

  preprintOpen access

  Vanadyl phthalocyanine (VOPc) is a promising organic molecule for applications in quantum information because of its thermal stability, efficient processing, and potential as a spin qubit. The deposition of VOPc in different molecular orientations allows the properties to be customized for integration into various devices. However, such customization has yet to be fully leveraged to alter its intrinsic properties, particularly optical emission. Normally, VOPc films on dielectric substrates emit a broad photoluminescence peak in the near-infrared range, attributed to transitions in the Pc ring from its pi orbital structure. In this work, we demonstrate that the dominant optical transition of VOPc can be shifted by over 250 meV through the controlled deposition of thin films on van der Waals material substrates. The weak interactions with van der Waals materials allow the molecules to uniquely self-assemble, resulting in modified optical behavior modulated by molecular phase and thickness. This work connects the self-assembling properties of molecules with their altered electronic structures and the resulting optical emission.

  PublisherOA PDFDOI

Recent grants

• Theory and computation for self-assembly in soft matter

  NSF · $411k · 2009–2013

• Structures and excited state dynamics of self-assembled photonic structures

  NSF · $433k · 2015–2018

• Theoretical Studies of State to State Chemistry

  NSF · $372k · 1996–2000

• QLC: EAGER: Collaborative Research: Developing Experiment and Theory for Entangled Photon Spectroscopy

  NSF · $150k · 2018–2021

• Understanding Emission, Absorption and Energy Transfer Involving Classical and Quantum Light Interacting with Molecules

  NSF · $450k · 2024–2027

Frequent coauthors

• Chad A. Mirkin

  Northwestern University

  189 shared

• Leighton O. Jones

  169 shared

• Richard P. Van Duyne

  141 shared

• Mark A. Ratner

  Theralogix (United States)

  125 shared

• Michael R. Wasielewski

  Northwestern University

  95 shared

• Diego Troya

  Virginia Tech

  93 shared

• Kevin L. Kohlstedt

  Northwestern University

  92 shared

• György Lendvay

  Institute of Materials and Environmental Chemistry

  87 shared

Education

• PhD, Chemistry

  California Institute of Technology

  1976

• BS, Chemistry

  Clarkson University

  1971

Awards & honors

• Alfred P. Sloan Fellow
• Dreyfus Fellow
• National Fresenius Award
• Phi Lambda Upsilon Fellow
• American Physical Society Fellow