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Patterns (New York, N.Y.)
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September 18, 2023
Guiding maps of solvents for lithium-sulfur batteries via a computational data-driven approach
Rasha Atwi, Nav Nidhi Rajput
Journal of Chemical Information and Modeling
|
October 30, 2024
ROSHAMBO: Open-Source Molecular Alignment and 3D Similarity Scoring
Rasha Atwi, Ye Wang, Simone Sciabola, et al.
Scientific Reports
|
September 21, 2022
MISPR: an open-source package for high-throughput multiscale molecular simulations
Rasha Atwi, Matthew Bliss, Maxim Makeev, et al.
Journal of Chemical Information and Modeling
|
September 24, 2025
ROSHAMBO2: Accelerating Molecular Alignment for Large Chemical Libraries with GPU Optimization and Algorithmic Advances
Rasha Atwi, Stephen Farr, Ye Wang, et al.
Journal of Chemical Information and Modeling
|
January 1, 2026
Correction to "ROSHAMBO2: Accelerating Molecular Alignment for Large Chemical Libraries with GPU Optimization and Algorithmic Advances"
Rasha Atwi, Stephen Farr, Ye Wang, et al.
Nature Computational Science
|
January 4, 2024
An automated framework for high-throughput predictions of NMR chemical shifts within liquid solutions
Rasha Atwi, Ying Chen, Kee Sung Han, et al.
Small Methods
|
July 25, 2025
Insights into Electrolyte-Solvent Interactions and SEI Formation for Sustainable Sodium-Ion Battery Operation at Low Temperatures
Soohwan Kim, Vinay Mirzapure, Rasha Atwi, et al.
The Journal of Physical Chemistry. B
|
November 8, 2021
Role of a Multivalent Ion-Solvent Interaction on Restricted Mg<sup>2+</sup> Diffusion in Dimethoxyethane Electrolytes
Ying Chen, Rasha Atwi, Kee Sung Han, et al.
Nature Communications
|
February 16, 2023
Non-polar ether-based electrolyte solutions for stable high-voltage non-aqueous lithium metal batteries
Zheng Li, Harsha Rao, Rasha Atwi, et al.
Journal of the American Chemical Society
|
January 27, 2025
Molecular Processes That Control Organic Electrosynthesis in Near-Electrode Microenvironments
Ricardo Mathison, Rasha Atwi, Hannah B McConnell, et al.
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of 2
Search research articles
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Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
Patterns (New York, N.Y.)
|
September 18, 2023
Guiding maps of solvents for lithium-sulfur batteries via a computational data-driven approach
Rasha Atwi, Nav Nidhi Rajput
Journal of Chemical Information and Modeling
|
October 30, 2024
ROSHAMBO: Open-Source Molecular Alignment and 3D Similarity Scoring
Rasha Atwi, Ye Wang, Simone Sciabola, et al.
Scientific Reports
|
September 21, 2022
MISPR: an open-source package for high-throughput multiscale molecular simulations
Rasha Atwi, Matthew Bliss, Maxim Makeev, et al.
Journal of Chemical Information and Modeling
|
September 24, 2025
ROSHAMBO2: Accelerating Molecular Alignment for Large Chemical Libraries with GPU Optimization and Algorithmic Advances
Rasha Atwi, Stephen Farr, Ye Wang, et al.
Journal of Chemical Information and Modeling
|
January 1, 2026
Correction to "ROSHAMBO2: Accelerating Molecular Alignment for Large Chemical Libraries with GPU Optimization and Algorithmic Advances"
Rasha Atwi, Stephen Farr, Ye Wang, et al.
Nature Computational Science
|
January 4, 2024
An automated framework for high-throughput predictions of NMR chemical shifts within liquid solutions
Rasha Atwi, Ying Chen, Kee Sung Han, et al.
Small Methods
|
July 25, 2025
Insights into Electrolyte-Solvent Interactions and SEI Formation for Sustainable Sodium-Ion Battery Operation at Low Temperatures
Soohwan Kim, Vinay Mirzapure, Rasha Atwi, et al.
The Journal of Physical Chemistry. B
|
November 8, 2021
Role of a Multivalent Ion-Solvent Interaction on Restricted Mg<sup>2+</sup> Diffusion in Dimethoxyethane Electrolytes
Ying Chen, Rasha Atwi, Kee Sung Han, et al.
Nature Communications
|
February 16, 2023
Non-polar ether-based electrolyte solutions for stable high-voltage non-aqueous lithium metal batteries
Zheng Li, Harsha Rao, Rasha Atwi, et al.
Journal of the American Chemical Society
|
January 27, 2025
Molecular Processes That Control Organic Electrosynthesis in Near-Electrode Microenvironments
Ricardo Mathison, Rasha Atwi, Hannah B McConnell, et al.
Page
of 2