The Schatz Group

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Research Themes
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Research Themes

Our research involves theory and computation as applies to problems in nanotechnology, properties of materials, macromolecular structures and dynamics, molecular self-assembly, optics, materials physics and biophysics. We are also interested in electronic structure methods, in quantum and classical theories of dynamical processes, and in using these methods to study the reactions of molecules at interfaces.

Optical Properties of Nanostructures

Self-Assembly of Soft Materials

Excited State/Optoelectronics

Recent Publications

Selective reduction of niobium (V) species to promote molecular niobium/tantalum separation, Furigay, Maxwell H.; Chaudhuri, Subhajyoti; Deresh, Sean M.; Weberg, Alexander B.; Pandey, Pragati; Carroll, Patrick J.; Schatz, George C.; Schelter, Eric J., Inorg. Chem. 61, 23-27 (2022) DOI: 10.1021/acs.inorgchem.1c02976

Extended kinetic lattice grand canonical Monte Carlo simulation method for transport of multicomponent ion mixtures through a model nanopore system, Choi, Inhyeok; Kim, Namho; Song, Yeonho; Schatz, George C.; Hwang, Hyonseok, Bull. Korean Chem. Soc., 43, 343-54 (2022). DOI: 10.1002/bkcs.12466

Non-fullerene acceptors with direct and indirect hexa-fluorination afford >17% efficiency in polymer solar cells, Li, Guoping; Feng, Liang-Wen; Mukherjee, Subhrangsu; Jones, Leighton O.; Jacobberger, Robert M.; Huang, Wei; Young, Ryan M.; Pankow, Robert M.; Zhu, Weigang; Lu, Norman; Kohlstedt, Kevin L.; Sangwan, Vinod K.; Wasielewski, Michael R.; Hersam, Mark C.; Schatz, George C.; DeLongchamp, Dean M.; Facchetti, Antonio; Marks, Tobin J. Energy & Environmental Science, 15, 645-659 (2022) DOI: 10.1039/d1ee03225a

Multipurpose made colorimetric materials for amines, pH change and metal ion detection, Bao, Lihong; Jones, Leighton O.; Garrote Canas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N., RSC Adv. 12, 2684- 2692 (2022) DOI: 10.1039/d1ra07811a

Layered structures of assembled imine-linked macrocycles and two-dimensional covalent organic frameworks give rise to prolonged exciton lifetimes, Helweh, Waleed; Flanders, Nathan C.; Wang, Shiwei; Phelan, Brian T.; Kim, Pyosang; Strauss, Michael J.; Li, Rebecca L.; Kelley, Matthew S.; Kirschner, Matthew S.; Edwards, Dillon O.; Spencer, Austin P.; Schatz, George C.; Schaller, Richard D.; Dichtel, William R.; Chen, Lin X., J. Mat. Chem. C 10, 3015-26 (2022) DOI: 10.1039/d1tc05840a

Software

PES

Fortran PES calculators
Python Scripts

Anisotropic Nanoparticle Builder

Coming soon...

Group Photos

Group News

News

Welcome to the Schatz Group

Research Highlights

Mueller, C.M.; Schatz, G.C.“An Algorithmic Approach Based on Data Trees and Genetic Algorithms to Understanding Charged and Neutral Metal Nanocluster Growth” J. Phys. Chem. A 2022, 126 , 5864–5872.

Weberg, A.B.; Chaudhuri, S.; Cheisson, T.; Uruburo, C.; Lapsheva, E; Pandey, P.; Gau, M.R.; Carroll, P.J.; Schatz, G.C.; Schelter, E.J.“Tantalum, easy as Pi: understanding differences in metal–imido bonding towards improving Ta/Nb separations” J. Chem. Sci 2022, 13 , 6796-6805.

Xiong, Q.; Stupp, S.I.; Schatz, G.C.“Molecular Insight into the β-Sheet Twist and Related Morphology of Self-Assembled Peptide Amphiphile Ribbons” J. Phys. Chem. Lett. 2021, 12 , 11238-11244.