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Raghunathan Ramakrishnan

6PUBLICATIONS

3CO-AUTHORS

Biomolecular modelling and designTheoretical quantum chemistryCrystallographyQuantum computationMathematical aspects of general relativity

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Publications (6)

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|Jan 01, 2022

Data-driven modeling of S<sub>0</sub> → S<sub>1</sub> excitation energy in the BODIPY chemical space: High-throughput computation, quantum machine learning, and inverse design.

Amit Gupta, Sabyasachi Chakraborty, Debashree Ghosh

|Mar 09, 2021

Charge-transfer selectivity and quantum interference in real-time electron dynamics: Gaining insights from time-dependent configuration interaction simulations.

Raghunathan Ramakrishnan

|Feb 16, 2021

High-throughput design of Peierls and charge density wave phases in Q1D organometallic materials.

Prakriti Kayastha, Raghunathan Ramakrishnan

|Jan 30, 2021

Critical benchmarking of popular composite thermochemistry models and density functional approximations on a probabilistically pruned benchmark dataset of formation enthalpies.

Sambit Kumar Das, Sabyasachi Chakraborty, Raghunathan Ramakrishnan

|Jul 03, 2020

Publisher's Note: "Charge-transfer selectivity and quantum interference in real-time electron dynamics: Gaining insights from time-dependent configuration interaction simulations" [J. Chem. Phys. 152, 194111 (2020)].

Raghunathan Ramakrishnan

|Apr 15, 2019

Machine learning modeling of Wigner intracule functionals for two electrons in one-dimension.

Rutvij Bhavsar, Raghunathan Ramakrishnan

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Frequent Collaborators

1 joint publications

Rutvij Bhavsar

1 joint publications

Prakriti Kayastha

1 joint publications

Debashree Ghosh

Frequent Collaborators

1 joint publications

Rutvij Bhavsar

1 joint publications

Prakriti Kayastha

1 joint publications

Debashree Ghosh

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