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Mark Tuckerman

Prof Of Chemistry And Mathematics

    1990 …2020

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    Research Output

    Comparison of the Performance of Machine Learning Models in Representing High-Dimensional Free Energy Surfaces and Generating Observables

    Cendagorta, J. R., Tolpin, J., Schneider, E., Topper, R. Q. & Tuckerman, M. E., May 7 2020, In : Journal of Physical Chemistry B. 124, 18, p. 3647-3660 14 p.

    Research output: Contribution to journalArticle

  • Disorderly Conduct of Benzamide IV: Crystallographic and Computational Analysis of High Entropy Polymorphs of Small Molecules

    Fellah, N., Shtukenberg, A. G., Chan, E. J., Vogt-Maranto, L., Xu, W., Li, C., Tuckerman, M. E., Kahr, B. & Ward, M. D., Apr 1 2020, In : Crystal Growth and Design. 20, 4, p. 2670-2682 13 p.

    Research output: Contribution to journalArticle

  • Ab Initio Molecular Dynamics Study of Hydroxide Diffusion Mechanisms in Nanoconfined Structural Mimics of Anion Exchange Membranes

    Zelovich, T., Long, Z., Hickner, M., Paddison, S. J., Bae, C. & Tuckerman, M. E., Feb 28 2019, In : Journal of Physical Chemistry C. 123, 8, p. 4638-4653 16 p.

    Research output: Contribution to journalArticle

  • Combining Iteration-Free Polarization with Large Time Step Stochastic-Isokinetic Integration

    Albaugh, A., Tuckerman, M. E. & Head-Gordon, T., Apr 9 2019, In : Journal of chemical theory and computation. 15, 4, p. 2195-2205 11 p.

    Research output: Contribution to journalArticle

  • Hydroxide Ion Diffusion in Anion-Exchange Membranes at Low Hydration: Insights from Ab Initio Molecular Dynamics

    Zelovich, T., Vogt-Maranto, L., Hickner, M. A., Paddison, S. J., Bae, C., Dekel, D. R. & Tuckerman, M. E., Aug 13 2019, In : Chemistry of Materials. 31, 15, p. 5778-5787 10 p.

    Research output: Contribution to journalArticle