Publications

Google Scholar profile

Publications

1. 1. M.A. Klatt, J. Kim, T.E. Gartner, III, S. Torquato, “Local number fluctuations in ordered and disordered phases of water across temperatures: Higher-order moments and degrees of tetrahedrality,” J. Chem. Phys., 2024, 160, 204502

2. 2. F. Sciortino, T.E. Gartner, III, P.G. Debenedetti, “Free-energy landscape and spinodals for the liquid–liquid transition of the TIP4P/2005 and TIP4P/Ice models of water,” J. Chem. Phys., 2024, 160, 104501

3. T.E. Gartner, III, A.L. Ferguson, P.G. Debenedetti, “Data-driven molecular design and simulation in modern chemical engineering,” Nat. Chem. Eng., 2024, 1, 6–9 

4. P.M. Piaggi,* T.E. Gartner, III,* R. Car, P.G. Debenedetti, “Melting curves of ice polymorphs in the vicinity of the liquid-liquid critical point,” ** J. Chem. Phys., 2023, 159, 054502; *Equal contributions; **JCP Featured Article

5. T.E. Gartner, III, P.M. Piaggi, R. Car, A.Z. Panagiotopoulos, P.G. Debenedetti, “Liquid-liquid transition in water from first principles,”** Phys. Rev. Lett., 2022, 129, 255702; **Featured as a PRL Editors’ Suggestion; Link to two feature articles about this work: (1) (2)

6. T.E. Gartner, III, K.M. Hunter, E. Lambros, A. Caruso, M. Riera, G.R. Medders, A.Z. Panagiotopoulos, P.G. Debenedetti, F. Paesani, “The Anomalies and Local Structure of Liquid Water from Boiling to the Supercooled Regime as Predicted by the Many-Body MB-pol Model,” J. Phys. Chem. Lett., 2022, 13, 3652-3658 

7. T.E. Gartner, III, “Linking amorphous ice and supercooled liquid water,” Proc. Natl. Acad. Sci. U.S.A., 2021, 118 (34), e2112191118

8. T.E. Gartner, III, S. Torquato, R. Car, P.G. Debenedetti, “Manifestations of metastable criticality in the long-range structure of model water glasses,” Nat. Commun., 2021, 12, 3398

9. M. Muniz,* T.E. Gartner, III,* M. Riera, C. Knight, S. Yue, F. Paesani, A.Z. Panagiotopoulos, “Vapor-liquid equilibrium of water with the MB-pol many-body potential,”** J. Chem. Phys., 2021, 154, 211103; *Equal contributions; **featured in AIP Scilights

10. T.E. Gartner, III, L. Zhang, P.M. Piaggi, R. Car, A.Z. Panagiotopoulos, P.G. Debenedetti, “Signatures of a liquid-liquid transition in an ab initio deep neural network model for water,” Proc. Natl. Acad. Sci. U.S.A., 2020, 117 (42), 2020-15440

11. T.E. Gartner, III,* C.M. Heil,* A. Jayaraman, “Surface composition and ordering of binary nanoparticle mixtures in spherical confinement,” Mol. Syst. Des. Eng., 2020, 5, 864-875; *Equal contributions

12. M. Xiao,* Z. Hu,* T.E. Gartner, III,* X. Yang, W. Li, A. Jayaraman, N.C. Gianneschi, M.D. Shawkey, A. Dhinojwala, “Experimental and theoretical evidence for molecular forces driving surface segregation in photonic colloidal assemblies,” Sci. Adv., 2019, 5, eaax1254; *Equal contributions

13. H. Kuang, T.E. Gartner, III, M.D. de Mello, J. Guo, X. Zuo, M. Tsapatsis, A. Jayaraman, E. Kokkoli, “ssDNA-amphiphile architecture used to control dimensions of DNA nanotubes,” Nanoscale, 2019, 11 (42), 19850-19861

14. T.E. Gartner, III, F.M. Haque, A.M. Gomi, S.M. Grayson, M.J.A. Hore, A. Jayaraman, “Scaling exponent and effective interactions in linear and cyclic polymer solutions: theory, simulations, and experiments,” Macromolecules, 2019, 52 (12), 4579-4589

15. T.E. Gartner, III, A. Jayaraman, “Modeling and Simulations of Polymers: A Roadmap,”** Macromolecules, 2019, 52 (3), 755-786; **Journal cover article, featured in ACS Editors’ Choice, journal’s #1 most-read article in Nov. 2019-Sept. 2021

16. T.B. Martin, T.E. Gartner, III, R.L. Jones, C.R. Snyder, A. Jayaraman, “Design and implementation of pyPRISM: a polymer liquid-state theory framework,” Proc. of the 17th Python in Science Conf. (SCIPY 2018), 2018, 129-136

17. T.B. Martin, T.E. Gartner, III, R.L. Jones, C.R. Snyder, A. Jayaraman, “pyPRISM: a computational tool for liquid-state theory calculations of macromolecular materials,” Macromolecules, 2018, 51 (8), 2906-2922

18. T.E. Gartner, III, A. Jayaraman, “Macromolecular ‘size’ and ‘hardness’ drives structure in solvent-swollen blends of linear, cyclic, and star polymers,” Soft Matter, 2018, 14, 411-423

19. T.E. Gartner, III,* M.A. Morris,* C.K. Shelton,* J.A. Dura, T.H. Epps, III, “Quantifying lithium salt and polymer density distributions in nanostructured ion-conducting block polymers,” Macromolecules, 2018, 51 (5), 1917-1926; *Equal contributions

20. T.E. Gartner, III, T. Kubo, Y. Seo, M. Tansky, L.M. Hall, B.S. Sumerlin, T.H. Epps, III, “Domain spacing and composition profile behavior in salt-doped cyclic vs linear block polymer thin films: a joint experimental and simulation study,” Macromolecules, 2017, 50 (18), 7169-7176

21. M.A. Morris,* T.E. Gartner, III,* T.H. Epps, III, “Tuning block polymer structure, properties, and processability for the design of efficient nanostructured materials systems,”** Macromol. Chem. Phys., 2017, 218 (5), 1600513; *Equal contributions; **Journal cover article, in journal’s top-20 most-read articles 2016-2018

22. T.E. Gartner, III, T.H. Epps, III, A. Jayaraman, “Leveraging Gibbs ensemble molecular dynamics and hybrid Monte Carlo/molecular dynamics for efficient study of phase equilibria,” J. Chem. Theory Comput., 2016, 12 (11), 5501-5510

23. V.V. Hardikar, Z. Wang, D.M. Gage, T.E. Gartner, III. Chemical mechanical polishing process and slurry containing silicon nanoparticles. United States Patent Application No. US 14/143,262. 2013, Dec 30.

24. H. Wu, H. Pan, M.A. Green, D. Dietderich, T.E. Gartner, III, H.C. Higley, M. Mentink, D.G. Tam, F.Y. Xu, F. Trillaud, X.K. Liu, L. Wang, and S.X. Zheng, “The resistance and strength of soft solder splices between conductors in MICE coils,” IEEE Trans. Applied Superconductivity, 2011, 21 (3), 1738-1741