Mark Tuckerman

Prof Of Chemistry And Mathematics

1990 …2019
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Molecular dynamics Chemical Compounds
molecular dynamics Physics & Astronomy
Protons Chemical Compounds
Free energy Chemical Compounds
Water Chemical Compounds
protons Physics & Astronomy
free energy Physics & Astronomy
simulation Physics & Astronomy

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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

Alkaline fuel cells
Water supply systems

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


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., 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

Block copolymers
Ion exchange
Negative ions