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Mark Tuckerman

Prof Of Chemistry And Mathematics

    1990 …2019
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    Research Output 1990 2019

    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., Feb 28 2019, In : Journal of Physical Chemistry C. 123, 8, p. 4638-4653 16 p.

    Research output: Contribution to journalArticle

    Molecular dynamics
    Ion exchange
    Negative ions

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

    Albaugh, A., Tuckerman, M. & 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

    self consistent fields
    Molecular dynamics
    Potential energy surfaces

    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., Aug 13 2019, In : Chemistry of Materials. 31, 15, p. 5778-5787 10 p.

    Research output: Contribution to journalArticle

    Molecular dynamics
    Ion exchange
    Negative ions

    Machine learning transforms how microstates are sampled

    Tuckerman, M., Sep 6 2019, In : Science. 365, 6457, p. 982-983 2 p.

    Research output: Contribution to journalShort survey

    detection method
    temperature effect

    Melt Crystallization for Paracetamol Polymorphism

    Shtukenberg, A. G., Tan, M., Vogt-Maranto, L., Chan, E. J., Xu, W., Yang, J., Tuckerman, M., Hu, C. T. & Kahr, B., Jan 1 2019, In : Crystal Growth and Design.

    Research output: Contribution to journalArticle