Raghunathan Ramakrishnan

4.7k total citations · 3 hit papers
34 papers, 3.1k citations indexed

About

Raghunathan Ramakrishnan is a scholar working on Atomic and Molecular Physics, and Optics, Materials Chemistry and Organic Chemistry. According to data from OpenAlex, Raghunathan Ramakrishnan has authored 34 papers receiving a total of 3.1k indexed citations (citations by other indexed papers that have themselves been cited), including 18 papers in Atomic and Molecular Physics, and Optics, 17 papers in Materials Chemistry and 8 papers in Organic Chemistry. Recurrent topics in Raghunathan Ramakrishnan's work include Advanced Chemical Physics Studies (16 papers), Machine Learning in Materials Science (13 papers) and Computational Drug Discovery Methods (8 papers). Raghunathan Ramakrishnan is often cited by papers focused on Advanced Chemical Physics Studies (16 papers), Machine Learning in Materials Science (13 papers) and Computational Drug Discovery Methods (8 papers). Raghunathan Ramakrishnan collaborates with scholars based in India, Germany and Switzerland. Raghunathan Ramakrishnan's co-authors include O. Anatole von Lilienfeld, Matthias Rupp, Pavlo O. Dral, Alexandre Tkatchenko, Katja Hansen, Franziska Biegler, Klaus‐Robert Müller, Aaron Knoll, Guntram Rauhut and Mathias Nest and has published in prestigious journals such as The Journal of Chemical Physics, Chemical Communications and Physical Review A.

In The Last Decade

Raghunathan Ramakrishnan

33 papers receiving 3.0k citations

Hit Papers

align trajectories

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

Quantum chemistry structures and properties of 134 kilo molecules

2014 1.2k citations Raghunathan Ramakrishnan, Pavlo O. Dral et al. Scientific Data profile →
Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach

2015 638 citations Raghunathan Ramakrishnan, Pavlo O. Dral et al. Journal of Chemical Theory and Computation profile →
Machine Learning Predictions of Molecular Properties: Accurate Many-Body Potentials and Nonlocality in Chemical Space

2015 585 citations Katja Hansen, Franziska Biegler et al. The Journal of Physical Chemistry Letters profile →

Peers

Countries citing papers authored by Raghunathan Ramakrishnan

Since Specialization

Citations

This map shows the geographic impact of Raghunathan Ramakrishnan's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Raghunathan Ramakrishnan with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Raghunathan Ramakrishnan more than expected).

Fields of papers citing papers by Raghunathan Ramakrishnan

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Raghunathan Ramakrishnan. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Raghunathan Ramakrishnan. The network helps show where Raghunathan Ramakrishnan may publish in the future.

Co-authorship network of co-authors of Raghunathan Ramakrishnan

This figure shows the co-authorship network connecting the top 25 collaborators of Raghunathan Ramakrishnan. A scholar is included among the top collaborators of Raghunathan Ramakrishnan based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Raghunathan Ramakrishnan. Raghunathan Ramakrishnan is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

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20 of 20 papers shown

#	Work	Indexed citations
1	Leveraging the Bias‐Variance Tradeoff in Quantum Chemistry for Accurate Negative Singlet‐Triplet Gap Predictions: A Case for Double‐Hybrid DFT 2025 ·Journal of Computational Chemistry ·(unknown), Raghunathan Ramakrishnan	0
2	Chemical space-informed machine learning models for rapid predictions of x-ray photoelectron spectra of organic molecules 2024 ·Machine Learning Science and Technology ·(unknown), (unknown), (unknown), Raghunathan Ramakrishnan	1
3	Influence of pseudo-Jahn–Teller activity on the singlet–triplet gap of azaphenalenes 2024 ·Physical Chemistry Chemical Physics ·(unknown), (unknown), (unknown), Raghunathan Ramakrishnan	3
4	Structure prediction from spectra amidst dynamical heterogeneity in melanin 2024 ·Chemical Communications ·(unknown), Raghunathan Ramakrishnan, Debashree Ghosh	9
5	Reduction of 2-H-substituted pyrrolinium cations: the carbon–carbon single bond in air stable 2,2′-bipyrrolidines as a two-electron-source 2023 ·Chemical Communications ·(unknown), (unknown), (unknown), Ayan Kumar Das, Raghunathan Ramakrishnan, Kaustubh R. Mote, Carola Schulzke, Cem B. Yildiz, Anukul Jana	2
6	The resolution-vs.-accuracy dilemma in machine learning modeling of electronic excitation spectra 2022 ·Digital Discovery ·(unknown), (unknown), Raghunathan Ramakrishnan	10
7	Data-driven modeling of S₀ → S₁ excitation energy in the BODIPY chemical space: High-throughput computation, quantum machine learning, and inverse design. 2021 ·PubMed ·Amit Gupta, (unknown), Debashree Ghosh, Raghunathan Ramakrishnan	13
8	Quantum-chemistry-aided identification, synthesis and experimental validation of model systems for conformationally controlled reaction studies: separation of the conformers of 2,3-dibromobuta-1,3-diene in the gas phase 2020 ·Physical Chemistry Chemical Physics ·(unknown), Hong Gao, (unknown), Raghunathan Ramakrishnan, (unknown), Dennis Gillingham, O. Anatole von Lilienfeld, Jochen Küpper, Stefan Willitsch	8
9	Exact separation of radial and angular correlation energies in two-electron atoms 2019 ·Chemical Physics Letters ·(unknown), Raghunathan Ramakrishnan	1
10	Genetic Optimization of Training Sets for Improved Machine Learning Models of Molecular Properties 2017 ·The Journal of Physical Chemistry Letters ·Nicholas J. Browning, Raghunathan Ramakrishnan, O. Anatole von Lilienfeld, (unknown)	51
11	Fast and accurate predictions of covalent bonds in chemical space 2016 ·The Journal of Chemical Physics ·(unknown), Stijn Fias, Raghunathan Ramakrishnan, O. Anatole von Lilienfeld	33
12	Semi-quartic force fields retrieved from multi-mode expansions: Accuracy, scaling behavior, and approximations 2015 ·The Journal of Chemical Physics ·Raghunathan Ramakrishnan, Guntram Rauhut	40
13	Machine Learning Predictions of Molecular Properties: Accurate Many-Body Potentials and Nonlocality in Chemical Space breakdown → 2015 ·The Journal of Physical Chemistry Letters ·Katja Hansen, Franziska Biegler, Raghunathan Ramakrishnan, (unknown), O. Anatole von Lilienfeld, Klaus‐Robert Müller, Alexandre Tkatchenko	585
14	Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach breakdown → 2015 ·Journal of Chemical Theory and Computation ·Raghunathan Ramakrishnan, Pavlo O. Dral, Matthias Rupp, O. Anatole von Lilienfeld	638
15	Machine Learning for Quantum Mechanical Properties of Atoms in Molecules 2015 ·The Journal of Physical Chemistry Letters ·Matthias Rupp, Raghunathan Ramakrishnan, O. Anatole von Lilienfeld	156
16	Quantum chemistry structures and properties of 134 kilo molecules breakdown → 2014 ·Scientific Data ·Raghunathan Ramakrishnan, Pavlo O. Dral, Matthias Rupp, O. Anatole von Lilienfeld	1164
17	Charge transfer dynamics from adsorbates to surfaces with single active electron and configuration interaction based approaches 2014 ·Chemical Physics ·Raghunathan Ramakrishnan, Mathias Nest	6
18	Electron dynamics across molecular wires: A time-dependent configuration interaction study 2013 ·Chemical Physics ·Raghunathan Ramakrishnan, Shampa Raghunathan, Mathias Nest	9
19	Control and analysis of single-determinant electron dynamics 2012 ·Physical Review A ·Raghunathan Ramakrishnan, Mathias Nest	16
20	Coherent control time-dependent methods for determining eigenvalues of Hermitian matrices with applications to electronic structure computations 2012 ·Molecular Physics ·Raghunathan Ramakrishnan, Mathias Nest, Eli Pollak	1

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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