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Mark Tuckerman

Prof Of Chemistry And Mathematics

    1990 …2020

    Research output per year

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    Research Output

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    Symplectic reversible integrators: Predictor-corrector methods

    Martyna, G. J. & Tuckerman, M. E., 1995, In : The Journal of Chemical Physics. 102, 20, p. 8071-8077 7 p.

    Research output: Contribution to journalArticle

    Synthesis of Aromatic Anion Exchange Membranes by Friedel-Crafts Bromoalkylation and Cross-Linking of Polystyrene Block Copolymers

    Jeon, J. Y., Park, S., Han, J., Maurya, S., Mohanty, A. D., Tian, D., Saikia, N., Hickner, M. A., Ryu, C. Y., Tuckerman, M. E., Paddison, S. J., Kim, Y. S. & Bae, C., Mar 12 2019, In : Macromolecules. 52, 5, p. 2139-2147 9 p.

    Research output: Contribution to journalArticle

    Temperature-accelerated method for exploring polymorphism in molecular crystals based on free energy

    Yu, T. Q. & Tuckerman, M. E., Jun 29 2011, In : Physical Review Letters. 107, 1, 015701.

    Research output: Contribution to journalArticle

    The effects of the hydrophobic environment on proton mobility in perfluorosulfonic acid systems: An ab initio molecular dynamics study

    Habenicht, B. F., Paddison, S. J. & Tuckerman, M. E., Aug 14 2010, In : Journal of Materials Chemistry. 20, 30, p. 6342-6351 10 p.

    Research output: Contribution to journalArticle

    The mechanism of proton conduction in phosphoric acid

    Vilčiauskas, L., Tuckerman, M. E., Bester, G., Paddison, S. J. & Kreuer, K. D., Jun 2012, In : Nature chemistry. 4, 6, p. 461-466 6 p.

    Research output: Contribution to journalArticle

    The nature and transport mechanism of hydrated hydroxide ions in aqueous solution

    Tuckerman, M. E., Marx, D. & Parrinello, M., Jun 27 2002, In : Nature. 417, 6892, p. 925-929 5 p.

    Research output: Contribution to journalArticle

    The nature of the hydrated excess proton in water

    Marx, D., Tuckerman, M. E., Hutter, J. & Parrinello, M., Feb 18 1999, In : Nature. 397, 6720, p. 601-604 4 p.

    Research output: Contribution to journalArticle

    Toward a statistical thermodynamics of steady states

    Tuckerman, M. E., Mundy, C. J. & Klein, M. L., 1997, In : Physical Review Letters. 78, 11, p. 2042-2045 4 p.

    Research output: Contribution to journalArticle

    Understanding Modern Molecular Dynamics: Techniques and Applications

    Tuckerman, M. E. & Martyna, G. J., Jan 20 2000, In : Journal of Physical Chemistry B. 104, 2, p. 159-178 20 p.

    Research output: Contribution to journalArticle

    Unexpected deacetylation mechanism suggested by a density functional theory QM/MM study of histone-deacetylase-like protein

    Corminboeuf, C., Hu, P., Tuckerman, M. E. & Zhang, Y., Apr 12 2006, In : Journal of the American Chemical Society. 128, 14, p. 4530-4531 2 p.

    Research output: Contribution to journalArticle

    Unified Efficient Thermostat Scheme for the Canonical Ensemble with Holonomic or Isokinetic Constraints via Molecular Dynamics

    Zhang, Z., Liu, X., Yan, K., Tuckerman, M. E. & Liu, J., May 22 2019, In : Journal of Physical Chemistry A. 123, 28, p. 6056-6079 24 p.

    Research output: Contribution to journalArticle

    Unusual Proton Transfer Kinetics in Water at the Temperature of Maximum Density

    Silletta, E. V., Tuckerman, M. E. & Jerschow, A., Aug 13 2018, In : Physical Review Letters. 121, 7, 076001.

    Research output: Contribution to journalArticle

    Using novel variable transformations to enhance conformational sampling in molecular dynamics

    Zhu, Z., Tuckerman, M. E., Samuelson, S. O. & Martyna, G. J., Mar 11 2002, In : Physical Review Letters. 88, 10, p. 1002011-1002014 4 p., 100201.

    Research output: Contribution to journalArticle

    Water Layering Affects Hydroxide Diffusion in Functionalized Nanoconfined Environments

    Zelovich, T. & Tuckerman, M. E., Jul 2 2020, In : Journal of Physical Chemistry Letters. 11, 13, p. 5087-5091 5 p.

    Research output: Contribution to journalArticle