Emily Crabb
Massachusetts Institute of Technology
H-index: 5
North America-United States
Top articles of Emily Crabb
Electrolyte Dependence of Li+ Transport Mechanisms in Small Molecule Solvents from Classical Molecular Dynamics
The Journal of Physical Chemistry B
2024/3/29
A cloud platform for sharing and automated analysis of raw data from high throughput polymer MD simulations
APL Machine Learning
2023/12/1
A cloud platform for automating and sharing analysis of raw simulation data from high throughput polymer molecular dynamics simulations
arXiv preprint arXiv:2208.01692
2022/8/2
Improving Understanding of Lithium-Oxygen Batteries Using Atomistic Simulations
2022
Emily Crabb
H-Index: 4
Predicting Lithium Transport Mechanisms Using Solvent Metrics With Experimentally-Validated Classical Molecular Dynamics Simulations
APS March Meeting Abstracts
2022
Importance of Equilibration Method and Sampling for Ab Initio Molecular Dynamics Simulations of Solvent–Lithium-Salt Systems in Lithium-Oxygen Batteries
Journal of Chemical Theory and Computation
2020/11/12
Comparison of Classical Molecular Dynamics and Ab initio Molecular Dynamics with Different Equilibration Methods for Modeling Solvent - Lithium Salt Systems in …
Bulletin of the American Physical Society
2020/3/4
Solvent- and Anion-Dependent Li+–O2– Coupling Strength and Implications on the Thermodynamics and Kinetics of Li–O2 Batteries
The Journal of Physical Chemistry C
2020/2/11