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Emily Crabb
Emily Crabb
Massachusetts Institute of Technology
Thermodynamics
Materials science
Ion
Diffusion Monte Carlo
Hafnia
4
Papers
28
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Importance of Equilibration Method and Sampling for Ab Initio Molecular Dynamics Simulations of Solvent-Lithium-Salt Systems in Lithium-Oxygen Batteries.
2020
Journal of Chemical Theory and Computation
Emily Crabb
Arthur France-Lanord
Graham Leverick
Ryan M. Stephens
Yang Shao-Horn
Jeffrey C. Grossman
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Citations (4)
Solvent- and Anion-Dependent Li+-O2- Coupling Strength and Implications on the Thermodynamics and Kinetics of Li-O2 Batteries
2020
Journal of Physical Chemistry C
Graham Leverick
Ryoichi Tatara
Shuting Feng
Emily Crabb
Arthur France-Lanord
Michał Tułodziecki
Jeffrey Lopez
Ryan M. Stephens
Jeffrey C. Grossman
Yang Shao-Horn
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Citations (10)
Zirconia and hafnia polymorphs: Ground-state structural properties from diffusion Monte Carlo
2018
Physical Review Letters
Hyeondeok Shin
Anouar Benali
Ye Luo
Emily Crabb
Alejandro Lopez-Bezanilla
Laura E. Ratcliff
Andrea M. Jokisaari
Olle Heinonen
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Zirconia and hafnia polymorphs: Ground-state structural properties from diffusion Monte Carlo
2018
Physical Review Materials
Hyeondeok Shin
Anouar Benali
Ye Luo
Emily Crabb
Alejandro Lopez-Bezanilla
Laura E. Ratcliff
Andrea M. Jokisaari
Olle Heinonen
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Citations (14)
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