11 results on '"Tuckerman, Mark E."'
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2. Functional groups in anion exchange membranes: Insights from Ab initio molecular dynamics
3. First principles molecular dynamics study of proton dynamics and transport in phosphoric acid/imidazole (2:1) system
4. On the connection between proton transport, structural diffusion, and reorientation of the hydrated hydroxide ion as a function of temperature
5. Measure-preserving integrators for molecular dynamics in the isothermal–isobaric ensemble derived from the Liouville operator
6. Hydroxide anion at the air–water interface
7. Direct evidence of an anomalous charge transport mechanism in ammonium perchlorate crystal in an ammonia-rich atmosphere from first-principles molecular dynamics
8. Exploiting multiple levels of parallelism in Molecular Dynamics based calculations via modern techniques and software paradigms on distributed memory computers
9. Structural and dynamical behavior of an azide anion in water from ab initio molecular dynamics calculations
10. A simple quantum mechanical/molecular mechanical (QM/MM) model for methanol
11. Ab initio molecular dynamics study of solid nitromethane
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