Standout Papers

Nosé–Hoover chains: The canonical ensemble via continuous dynamics 1992 2026 2003 2014 4.5k
  1. Nosé–Hoover chains: The canonical ensemble via continuous dynamics (1992)
    Glenn Martyna, Michael L. Klein et al. The Journal of Chemical Physics
  2. Reversible multiple time scale molecular dynamics (1992)
    Mark E. Tuckerman, B. J. Berne et al. The Journal of Chemical Physics
  3. Deep Eutectic Solvents: A Review of Fundamentals and Applications (2020)
    Benworth Hansen, Stephanie Spittle et al. Chemical Reviews
  4. The nature of the hydrated excess proton in water (1999)
    Dominik Marx, Mark E. Tuckerman et al. Nature
  5. Explicit reversible integrators for extended systems dynamics (1996)
    Glenn Martyna, Mark E. Tuckerman et al. Molecular Physics
  6. The nature and transport mechanism of hydrated hydroxide ions in aqueous solution (2002)
    Mark E. Tuckerman, Dominik Marx et al. Nature
  7. Ab initio molecular dynamics simulation of the solvation and transport of hydronium and hydroxyl ions in water (1995)
    Mark E. Tuckerman, Kari Laasonen et al. The Journal of Chemical Physics
  8. On the Quantum Nature of the Shared Proton in Hydrogen Bonds (1997)
    Mark E. Tuckerman, Dominik Marx et al. Science
  9. A reciprocal space based method for treating long range interactions in ab initio and force-field-based calculations in clusters (1999)
    Glenn Martyna, Mark E. Tuckerman The Journal of Chemical Physics
  10. Ab Initio Molecular Dynamics Simulation of the Solvation and Transport of H3O+ and OH- Ions in Water (1995)
    Mark E. Tuckerman, Kari Laasonen et al. The Journal of Physical Chemistry
  11. The mechanism of proton conduction in phosphoric acid (2012)
    Linas Vilčiauskas, Mark E. Tuckerman et al. Nature Chemistry
  12. A Liouville-operator derived measure-preserving integrator for molecular dynamics simulations in the isothermal–isobaric ensemble (2006)
    Mark E. Tuckerman, José Alejandre et al. Journal of Physics A Mathematical and General
  13. Aqueous Basic Solutions: Hydroxide Solvation, Structural Diffusion, and Comparison to the Hydrated Proton (2010)
    Dominik Marx, Amalendu Chandra et al. Chemical Reviews
  14. Quantum chemical accuracy from density functional approximations via machine learning (2020)
    Mihail Bogojeski, Leslie Vogt-Maranto et al. Nature Communications

Immediate Impact

17 by Nobel laureates 25 from Science/Nature 177 standout
Sub-graph 1 of 15

Citing Papers

The central role of density functional theory in the AI age
2023 StandoutScience
Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems
2021 Standout
180 intermediate papers

Works of Mark E. Tuckerman being referenced

Quantum chemical accuracy from density functional approximations via machine learning
2020 Standout
Neural-Network-Based Path Collective Variables for Enhanced Sampling of Phase Transformations
2019
and 82 more

Author Peers

Author Last Decade Papers Cites
Mark E. Tuckerman 12199 5231 8267 218 28.4k
Jürg Hutter 14292 2605 15916 191 36.3k
Dominik Marx 11045 2104 5839 300 19.1k
Gregory A. Voth 17672 13786 9344 642 41.4k
Alexandre Tkatchenko 8486 2954 16398 234 24.8k
Mischa Bonn 12308 3413 10343 592 29.1k
Michel Dupuis 13230 2962 10104 241 34.1k
M. D. Fayer 18289 3860 5530 512 27.1k
Glenn Martyna 7005 5836 6636 139 20.3k
Theresa L. Windus 12235 3309 8641 129 29.9k
William G. Hoover 6826 5149 14056 171 30.2k

All Works

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2026