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 | 54 | 2023 |
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 | 27 | 2020 |
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 | 11 | 2021 |
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 | 9 | 2022 |
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 | 6 | 2022 |
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 | 5 | 2022 |
MISPR: an automated infrastructure for high-throughput DFT and MD simulations R Atwi, M Bliss, M Makeev, NN Rajput | 1 | 2022 |
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 |