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Dr Ramakrishnan Raghunathan

vidwan id: 621104
Male

Associate Professor, TIFRH Interdisciplinary Sciences
Tata Institute of Fundamental Research Hyderabad

Expertise

  • Multidisciplinary Chemistry

Publications

Total Articles 54
Books 0
Proceedings 0

Publications

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Scopus

Citations 3599
h-index 14

CrossRef

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Citations 3776
h-index 17
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Bio

Computational and Theoretical Chemistry

Personal Details

  • Male
  • Associate Professor , Tata Institute of Fundamental Research Hyderabad
  • TIFRH Interdisciplinary Sciences, Tata Institute of Fundamental Research
PhD
Technical University of Munich 2011
Associate Professor Apr 2016 – Present
Tata Institute of Fundamental Research Hyderabad | TIFRH Interdisciplinary Sciences

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Co-Authors (4)

Jana

Dr Jana Anukul

Tata Institute of Fundamental Research Hyderabad

Mandal

Dr Mandal Kalyaneswar

Tata Institute of Fundamental Research Hyderabad

Mote

Dr Mote Kaustubh R

Tata Institute of Fundamental Research Hyderabad

Shampa

Dr Shampa Raghunathan

Mahindra University, Hyderabad

Scholarly Work

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Scholarly Publications

Revving up 13C NMR shielding predictions across chemical space: benchmarks for atoms-in-molecules kernel machine learning with new data for 134 kilo molecules

Open Access
journal-article
Authors: Amit Gupta;Sabyasachi Chakraborty;Raghunathan Ramakrishnan

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

Open Access
journal-article

Troubleshooting unstable molecules in chemical space

Open Access
journal-article
Authors: Salini Senthil;Sabyasachi Chakraborty;Raghunathan Ramakrishnan

Machine learning modeling of materials with a group-subgroup structure

Open Access
journal-article
Authors: Prakriti Kayastha;Raghunathan Ramakrishnan

Data-driven modeling of S → S1 excitation energy in the BODIPY chemical space: High-throughput computation, quantum machine learning, and inverse design

Open Access
journal-article
Authors: Amit Gupta;Sabyasachi Chakraborty;Debashree Ghosh;Raghunathan Ramakrishnan

Charge-Transfer Selectivity and Quantum Interference in Real-Time Electron Dynamics: Gaining Insights from Time-Dependent Configuration Interaction Simulations

Open Access
other
Authors: Raghunathan Ramakrishnan

Critical Benchmarking of the G4(MP2) Model, the Correlation Consistent Composite Approach and Popular Density Functional Approximations on a Probabilistically Pruned Benchmark Dataset of Formation Enthalpies

Open Access
preprint
Authors: sambit kumar das;Sabyasachi Chakraborty;Raghunathan Ramakrishnan

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)]

Open Access
journal-article