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Soft Matter|February 16, 2021
Exploring secondary interactions and the role of temperature in moisture-contaminated polymer networks through molecular simulationsRishabh D Guha, Ogheneovo Idolor, Katherine Berkowitz, et al.
Journal of the American Chemical Society|January 20, 2026
Unraveling the Steric Effect of Trialkyl Phosphates on the Solvation Sheath and Solid Electrolyte Interphase in High-Efficiency Magnesium ElectrolytesChang Li, Rohith Srinivaas Mohanakrishnan, Jinghan Li, et al.
Journal of Chemical Information and Modeling|April 4, 2025
HEPOM: Using Graph Neural Networks for the Accelerated Predictions of Hydrolysis Free Energies in Different pH ConditionsRishabh D Guha, Santiago Vargas, Evan Walter Clark Spotte-Smith, et al.
Science Advances|September 18, 2024
Mechanochemically accelerated deconstruction of chemically recyclable plasticsMutian Hua, Zhengxing Peng, Rishabh D Guha, et al.
Digital Discovery|August 21, 2025
Correction: Atomate2: modular workflows for materials scienceAlex M Ganose, Hrushikesh Sahasrabuddhe, Mark Asta, et al.
Digital Discovery|July 4, 2025
Atomate2: modular workflows for materials scienceAlex M Ganose, Hrushikesh Sahasrabuddhe, Mark Asta, et al.
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