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

hydroxides
Anions
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

iteration
self consistent fields
Molecular dynamics
Polarization
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

Hydration
Anions
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
microscopy
transform
protein

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

polymorphism
Acetaminophen
Crystallization
Polymorphism
crystallization