the gingrich group

About


We are a theoretical chemistry group that studies problems in statistical mechanics, stochastic thermodynamics, chemical kinetics, nonequilibrium self-assembly, and biophysics. Contact Todd if you’d like to learn more!

People


Gingrich Group, May 2024

Todd Gingrich

Assistant Professor of Chemistry



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CV

Schuyler Nicholson

Postdoctoral Scholar






Emanuele Penocchio

Postdoctoral Scholar



Webpage
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Kathleen Krist

Postdoctoral Scholar





John Strahan

Postdoctoral Scholar



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Geyao Gu

Graduate Student



Jonah Greenberg

Graduate Student



Kate Murphy

Graduate Student



John Zima

Graduate Student



Drew Alvarez

Undergraduate Student



Publications


Preprints

N.E. Strand, S.B. Nicholson, H. Vroylandt, and T.R. Gingrich. "From high-dimensional committors to reactive insights." arXiv:2406.01452, 2024.

Abstract PDF arXiv

E. Penocchio, G. Gu, A. Albaugh, and T.R. Gingrich. "Power strokes in molecular motors: predictive, irrelevant, or somewhere in between?." ChemRXiv, 2024.

Abstract PDF doi:10.26434/chemrxiv-2024-rjbdc

T.H. Tan, G.A. Watson, Y.Chao, J. Li, T.R. Gingrich, J.M. Horowitz, and N. Fakhri. "Scale-dependent irreversibility in living matter." arXiv:2107.05701, 2021.

Abstract PDF arXiv

In Print

31. A. Albaugh, R.-S. Fu, G. Gu, and T.R. Gingrich. "Limits on the Precision of Catenane Molecular Motors: Insights from Thermodynamics and Molecular Dynamics Simulations." Journal of Chemical Theory and Computation, 20, 1-6, 2024.

Abstract PDF arXiv doi:10.1021/acs.jctc.3c01201

30. S.B. Nicholson and T.R. Gingrich. "Quantifying Rare Events in Stochastic Reaction-Diffusion Dynamics Using Tensor Networks." Physical Review X, 13, 041006, 2023.

Abstract PDF arXiv doi:10.1103/PhysRevX.13.041006

29. A. Albaugh, G. Gu, and T.R. Gingrich. "Sterically Driven Current Reversal in a Molecular Motor Model." Proceedings of the National Academy of Sciences, 120, e2210500120, 2023.

Abstract PDF arXiv doi:10.1073/pnas.2210500120

28. L. Binks, S. Borsley, T.R. Gingrich, D.A. Leigh, E. Penocchio, and B.W. Roberts. "The role of kinetic asymmetry and power strokes in an information ratchet." Chem, 2023.

Abstract PDF doi:10.1016/j.chempr.2023.05.035

27. R.-S. Fu and T.R. Gingrich. "Thermodynamic uncertainty relation for Langevin dynamics by scaling time." Physical Review E, 106, 024128, 2022.

Abstract PDF arXiv doi:10.1103/PhysRevE.106.024128

26. N.E. Strand, H. Vroylandt, and T.R. Gingrich. "Computing time-periodic steady-state currents via the time evolution of tensor network states." Journal of Chemical Physics, 157, 054104, 2022.

Abstract PDF arXiv doi:10.1063/5.0099741

25. T.R. Gingrich. "Measuring how effectively light drives a molecular pump." Nature Nanotechnology [News & Views], 2022.

Abstract PDF doi:10.1038/s41565-022-01152-x

24. N.E. Strand, H. Vroylandt, and T.R. Gingrich. "Using tensor network states for multi-particle Brownian ratchets." Journal of Chemical Physics [Editor’s Pick], 156, 221103, 2022.

Abstract PDF arXiv doi:10.1063/5.0097332

23. A. Albaugh and T.R. Gingrich. "Simulating a Chemically Fueled Molecular Motor with Nonequilibrium Molecular Dynamics." Nature Communications, 13, 2204, 2022.

Abstract PDF arXiv doi:10.1038/s41467-022-29393-3

22. A. Albaugh and T.R. Gingrich. "Estimating Reciprocal Partition Functions to Enable Design Space Sampling." Journal of Chemical Physics, 153, 204102, 2020.

Abstract PDF arXiv doi:10.1063/5.0025358

21. N.E. Strand, R.-S. Fu, and T.R. Gingrich. "Current inversion in a periodically driven two-dimensional Brownian ratchet." Physical Review E [Editor’s Suggestion], 102, 012141, 2020.

Abstract PDF arXiv doi:10.1103/PhysRevE.102.012141

20. J.A. Owen, T.R. Gingrich, and J.M. Horowitz. "Universal thermodynamic bounds on nonequilibrium response with biochemical applications." Physical Review X, 10, 011066, 2020.

Abstract PDF arXiv doi:10.1103/PhysRevX.10.011066

19. H. Vroylandt, K. Proesmans, and T.R. Gingrich. "Isometric Uncertainty Relations." Journal of Statistical Physics, 178, 1039-1053, 2020.

Abstract PDF arXiv doi:10.1007/s10955-020-02484-5

18. J.M. Horowitz and T.R. Gingrich. "Thermodynamic uncertainty relations constrain nonequilibrium fluctuations." Nature Physics, 16, 15-20, 2020.

Abstract PDF doi:10.1038/s41567-019-0702-6

17. J. Li, J.M. Horowitz, T.R. Gingrich and N. Fakhri. "Quantifying dissipation using fluctuating currents." Nature Communications, 10, 1666, 2019.

Abstract PDF arXiv doi:10.1038/s41467-019-09631-x

16. T.R. Gingrich and J.M. Horowitz. "Fundamental Bounds on First Passage Time Fluctuations for Currents." Physical Review Letters, 119, 170601, 2017.

Abstract PDF arXiv doi:10.1103/PhysRevLett.119.170601

15. G. Bisker, M. Polettini, T.R. Gingrich, and J.M. Horowitz. "Hierarchical Bounds on Entropy Production Inferred from Partial Information." Journal of Statistical Mechanics: Theory and Experiment, 093210, 2017.

Abstract PDF arXiv doi:10.1088/1742-5468/aa8c0d

14. J.M. Horowitz and T.R. Gingrich. "Proof of the Finite-Time Thermodynamic Uncertainty Relation for Steady-State Currents." Physical Review E (Rapid Communications) [Editor’s Suggestion], 96, 020103(R), 2017.

Abstract PDF arXiv doi:10.1103/PhysRevE.96.020103

13. R. Zakine, A. Solon, T.R. Gingrich, and F. van Wijland. "Stochastic Stirling engine operating in contact with active baths." Entropy, 19(5), 193, 2017.

Abstract PDF arXiv doi:10.3390/e19050193

12. T.R. Gingrich, G.M. Rotskoff, and J.M. Horowitz. "Inferring dissipation from current fluctuations." Journal of Physics A: Mathematical and Theoretical, 50, 184004, 2017.

Abstract PDF arXiv doi:10.1088/1751-8121/aa672f

11. T.R. Gingrich, G.M. Rotskoff, G.E. Crooks, and P.L. Geissler. "Near-optimal protocols in complex nonequilibrium transformations." Proceedings of the National Academy of Sciences, 113(37), 10263, 2016.

Abstract PDF arXiv doi:10.1073/pnas.1606273113

10. T.R. Gingrich, J.M. Horowitz, N. Perunov, and J.L. England. "Dissipation bounds all steady-state current fluctuations." Physical Review Letters, 116, 120601, 2016.

Abstract PDF arXiv doi:10.1103/PhysRevLett.116.120601

9. T.R. Gingrich and P.L. Geissler. "Preserving correlations between trajectories for efficient path sampling." Journal of Chemical Physics, 142(23), 234104, 2015.

Abstract PDF arXiv doi:10.1063/1.4922343

8. T.R. Gingrich, G.M. Rotskoff, S. Vaikuntanathan, and P.L. Geissler. "Efficiency and large deviations in time-asymmetric stochastic heat engines." New Journal of Physics Fast Track Communication, 16(10), 102003, 2014.

Abstract PDF arXiv doi:10.1088/1367-2630/16/10/102003

7. T.R. Gingrich, S. Vaikuntanathan, and P.L. Geissler. "Heterogeneity-induced large deviations in activity and (in some cases) entropy production." Physical Review E, 90, 042123, 2014.

Abstract PDF arXiv doi:10.1103/PhysRevE.90.042123

6. S. Vaikuntanathan, T.R. Gingrich, and P.L. Geissler. "Dynamic phase transitions in simple driven kinetic networks." Physical Review E, 89, 062108, 2014.

Abstract PDF arXiv doi:10.1103/PhysRevE.89.062108

5. T.R. Gingrich and M. Wilson. "The control of inorganic nanotube morphology using an applied potential." Journal of Physics: Condensed Matter, 23(13), 135306, 2011.

Abstract PDF doi:10.1088/0953-8984/23/13/135306

4. T.R. Gingrich and M. Wilson. "On the Ewald summation of Gaussian charges for the simulation of metallic surfaces." Chemical Physics Letters, 500(1), 178, 2010.

Abstract PDF doi:10.1016/j.cplett.2010.10.010

3. J.E. Katz, T.R. Gingrich, E.A. Santori, and N.S. Lewis. "Combinatorial synthesis and high-throughput photopotential and photocurrent screening of mixed-metal oxides for photoelectrochemical water splitting." Energy & Environmental Science, 2(1), 103, 2009.

Abstract PDF doi:10.1039/B812177J

2. P.K. Thallapally, L. Dobrzanska, T.R. Gingrich, T.B. Wirsig, L.J. Barbour, and J.L. Atwood. "Acetylene absorption and binding in a nonporous crystal lattice." Angewandte Chemie International Edition, 45(39), 6506, 2006.

Abstract PDF doi:10.1002/anie.200601391

1. G.P. Smith and T.R. Gingrich. "Hydroxyapatite chromatography of phage-display virions." Biotechniques, 39(6), 879, 2005.

Abstract PDF doi:10.2144/000112032

Teaching


Alumni


Alex Albaugh

Postdoc (2018-22)

Currently an Assistant Professor at Wayne State University


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Niles Babin

Undergraduate (2022)

Currently an Undergraduate at Harvey Mudd College


Rueih-Sheng (Ray) Fu

PhD (2018-23)


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Isabelle Goodrow

Undergraduate (2023)

Currently an Undergraduate at Cornell University


Ashini Shah

Undergraduate (2022-23)

Currently at the Graduate School for Complex Systems Chemistry at the University of Strassbourg




Nils Strand

PhD (2018-23)

Currently a Postdoc at the University of Chicago


Webpage

Hadrien Vroylandt

Postdoc (2018-20)

Currently at Sorbonne Université


Contact


847-491-4048