Shree Sowndarya S. V.

A quantitative metric for organic radical stability and persistence using thermodynamic and kinetic features

Shree Sowndarya S. V., Peter C. St. John, Robert S. Paton · Chemical Science · 2021 · 79 citations · Full text

Natural Sciences, Biochemistry, Chemistry +14

Multi-objective goal-directed optimization of de novo stable organic radicals for aqueous redox flow batteries

Shree Sowndarya S. V., Jeffrey Law, Charles Tripp et al. · Nature Machine Intelligence · 2022 · 76 citations · Full text

Natural Sciences, Chemical Engineering, Chemistry +16

AQME: Automated quantum mechanical environments for researchers and educators

Juan V. Alegre‐Requena, Shree Sowndarya S. V., Raúl Pérez‐Soto et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2023 · 63 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +16

Performance of Property-Optimized Basis Sets for Optical Rotation with Coupled Cluster Theory

J. Coleman Howard, Shree Sowndarya S. V., Imaad M. Ansari et al. · The Journal of Physical Chemistry A · 2018 · 21 citations

Natural Sciences, Chemistry, Physics +17

Rapid prediction of conformationally-dependent DFT-level descriptors using graph neural networks for carboxylic acids and alkyl amines

Brittany C. Haas, Melissa A. Hardy, Shree Sowndarya S. V. et al. · Digital Discovery · 2024 · 17 citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +17