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Rasha Atwi
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Non-polar ether-based electrolyte solutions for stable high-voltage non-aqueous lithium metal batteries
Z Li, H Rao, R Atwi, BM Sivakumar, B Gwalani, S Gray, KS Han, ...
Nature Communications 14 (1), 868, 2023
542023
Effect of electrolyte cations on organic electrosynthesis: The case of adiponitrile electrochemical production
DE Blanco, R Atwi, S Sethuraman, A Lasri, J Morales, NN Rajput, ...
Journal of The Electrochemical Society 167 (15), 155526, 2020
272020
Role of a Multivalent Ion–Solvent Interaction on Restricted Mg2+ Diffusion in Dimethoxyethane Electrolytes
Y Chen, R Atwi, KS Han, J Ryu, NM Washton, JZ Hu, NN Rajput, ...
The Journal of Physical Chemistry B 125 (45), 12574-12583, 2021
112021
Elucidating the role of reactive nitrogen intermediates in hetero-cyclization during hydrothermal liquefaction of food waste
HO LeClerc, R Atwi, SF Niles, AM McKenna, MT Timko, RH West, ...
Green Chemistry 24 (13), 5125-5141, 2022
92022
An automated framework for high-throughput predictions of NMR chemical shifts within liquid solutions
R Atwi, Y Chen, KS Han, KT Mueller, V Murugesan, NN Rajput
Nature Computational Science 2 (2), 112-122, 2022
62022
MISPR: an open-source package for high-throughput multiscale molecular simulations
R Atwi, M Bliss, M Makeev, NN Rajput
Scientific Reports 12 (1), 15760, 2022
52022
MISPR: an automated infrastructure for high-throughput DFT and MD simulations
R Atwi, M Bliss, M Makeev, NN Rajput
12022
From Bulk to Interface: Solvent Exchange Dynamics and Their Role in Ion Transport and the Interfacial Model of Rechargeable Magnesium Batteries
Y Chen, R Atwi, DT Nguyen, JD Bazak, NT Hahn, J Ryu, JA Sears, ...
Journal of the American Chemical Society, 2024
2024
ROSHAMBO: Open-Source Molecular Alignment and 3D Similarity Scoring
R Atwi, Y Wang, S Sciabola, A Antoszewski
2024
Mispr: A High-Throughput Multi-Scale Infrastructure for Automating Molecular Simulations
NN Rajput, R Atwi, M Bliss
2023 AIChE Annual Meeting, 2023
2023
Materials Informatics for Designing Optimal Electrolytes for Lithium-Sulfur Batteries
NN Rajput, R Atwi
2023 AIChE Annual Meeting, 2023
2023
Guiding maps of solvents for lithium-sulfur batteries via a computational data-driven approach
R Atwi, NN Rajput
Patterns 4 (9), 2023
2023
Predicting the Role of Reactive Nitrogen Intermediates during Hydrothermal Liquefaction of Food Waste
H LeClerc, R Atwi, AM McKenna, MT Timko, RH West, AR Teixeira
2022 AIChE Annual Meeting, 2022
2022
Tailoring Atomistic Interactions in Li-S Battery Via a Computational Multi-Scale-Data-Driven Approach
R Atwi, NN Rajput
Electrochemical Society Meeting Abstracts 241, 449-449, 2022
2022
Research briefing
R Atwi, NN Rajput
2022
(Invited) A Multi-Scale Infrastructure for Automating Materials Science Computations
NN Rajput, R Atwi, M Bliss
Electrochemical Society Meeting Abstracts 239, 196-196, 2021
2021
(Invited) Designing Optimal Electrolytes and Interfaces in Li-S Batteries
NN Rajput, R Atwi
Electrochemical Society Meeting Abstracts 239, 447-447, 2021
2021
Understanding Formation of Nitrogen Heterocycles during Catalytic Hydrothermal Liquefaction
MT Timko, RH West, R Atwi
2019 AIChE Annual Meeting, 2019
2019
Investigating reaction pathways for the formation of nitrogen heterocycles during hydrothermal liquefaction of microalgae
R Atwi, M Timko, R West
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018
2018
A Kinetic Study of the Formation of Nitrogen Heterocycles During HTL of Micro-Algae
R Atwi
Northeastern University, 2018
2018
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