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Nano Letters|December 16, 2022
A Green's Function Approach for Determining Surface Induced Broadening and Shifting of Molecular Energy LevelsTamar Zelovich, Thorsten Hansen, Mark E Tuckerman
Physical Review Letters|December 11, 2012
Alternating hexagonal and striped patterns in Faraday surface wavesNicolas Périnet, Damir Juric, Laurette S Tuckerman
Nature|June 28, 2002
The nature and transport mechanism of hydrated hydroxide ions in aqueous solutionMark E Tuckerman, Dominik Marx, Michele Parrinello
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|August 4, 2016
Exploring polymorphism of benzene and naphthalene with free energy based enhanced molecular dynamicsElia Schneider, Leslie Vogt, Mark E Tuckerman
Journal of Chemical Information and Modeling|March 24, 2026
MXtalTools: A Toolkit for Machine Learning on Molecular CrystalsMichael Kilgour, Mark E Tuckerman, Jutta Rogal
The Journal of Chemical Physics|October 25, 2006
Molecular grand-canonical ensemble density functional theory and exploration of chemical spaceO Anatole von Lilienfeld, Mark E Tuckerman
Journal of Chemical Theory and Computation|December 26, 2025
Automated Machine Learning Pipeline: Large Language Models-Assisted Automated Data set Generation for Training Machine-Learned Interatomic PotentialsAdam Lahouari, Jutta Rogal, Mark E Tuckerman
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