Raghunathan Ramakrishnan
15PUBLICATIONS
21CO-AUTHORS
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Publications (15)
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|Feb 05, 2026
Insights Into Symmetry and Substitution Patterns Governing Singlet-Triplet Energy Gap in the Chemical Space of Azaphenalenes.Atreyee Majumdar, Raghunathan Ramakrishnan
|Jan 23, 2026
Enhancing NMR shielding predictions of atoms-in-molecules machine learning models with neighborhood-informed representations.Surajit Das, Raghunathan Ramakrishnan
|Dec 30, 2025
Machine-learned potentials for solvation modeling.Roopshree Banchode, Surajit Das, Shampa Raghunathan
|Sep 18, 2025
Leveraging the Bias-Variance Tradeoff in Quantum Chemistry for Accurate Negative Singlet-Triplet Gap Predictions: A Case for Double-Hybrid DFT.Atreyee Majumdar, Raghunathan Ramakrishnan
|Jul 16, 2025
Unlocking inverted singlet-triplet gap in alternant hydrocarbons with heteroatoms.Atreyee Majumdar, Surajit Das, Raghunathan Ramakrishnan
|Feb 14, 2025
Comment on "Designing potentially singlet fission materials with an anti-Kasha behaviour" by R. Pino-Rios, R. Báez-Grez, D. W. Szczepanik, and M. Solá, <i>Phys. Chem. Chem. Phys.</i>, 2024, <b>26</b>, 15386.Komal Jindal, Atreyee Majumdar, Raghunathan Ramakrishnan
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Frequent Collaborators
4 joint publications
Surajit Das
3 joint publications
Atreyee Majumdar
1 joint publications
Ardita Kilaj
1 joint publications
Hong Gao
1 joint publications
O Anatole von Lilienfeld
1 joint publications
Jochen Küpper
1 joint publications
Stefan Willitsch
1 joint publications
Kalyaneswar Mandal
1 joint publications
Shampa Raghunathan
1 joint publications
Benedict J Elvers
