LabCompass

Krishnan Raghavachari

Physics and Astronomy · Indiana University

OpenAlex ORCID
Established · publishing since 1981
Advanced Chemical Physics StudiesSpectroscopy and Quantum Chemical StudiesMolecular Junctions and NanostructuresSemiconductor materials and devicesChemical Thermodynamics and Molecular Structure

Publications

499

Citations

60,870

Est. group size

—

Recurring co-author estimate

Active years

46

Publishing since 1981

Research summary
AI-generated

Krishnan Raghavachari works in computational and theoretical chemistry, developing and applying computer-based methods to predict how molecules behave. Recent projects include using machine learning combined with physics principles to predict molecular properties (such as electron affinities and acidity), fragmentation-based techniques for accurately modeling large molecules like proteins, and computational studies of chemical reactions, catalysis, and molecular receptors that bind specific ions.

Computational quantum chemistry methodsMachine learning for chemical property predictionMolecular fragmentation for large systemsCatalysis and CO2 reduction modelingAnion receptors and supramolecular chemistry

Publication activity has fluctuated year to year over the past decade, averaging around 12 papers annually in the last five years without a clear upward or downward trend.

Generated by claude-opus-4-8 from public bibliographic data · Jul 9, 2026

Funding
Public award records

No award with a current end date on record.

5 earlier awards
  • NSF 2102583Jul 2021 – Jun 2026 · $450k awarded

    A Hierarchy of Fragment-based Quantum Chemical Models Incorporating Machine Learning for Applications in Nanoscale Systems

  • NSF 1665427Jul 2017 – Dec 2021 · $450k awarded

    A hierarchy of composite quantum chemical models for applications in materials chemistry and nanoscience

  • NSF 1266154Jul 2013 – Jun 2017 · $475k awarded

    A hierarchy of composite quantum chemical models for applications in materials and surface Chemistry

  • NSF 0911454Sep 2009 – Aug 2013 · $453k awarded

    Quantum chemical investigations of surface chemistry with a hierarchy of cluster models

  • NSF 0616737Aug 2006 – Jul 2009 · $405k awarded

    Quantum chemical investigations of surface chemistry with a hierarchy of cluster models

Matched to public NIH RePORTER and NSF records by name and institution. Awards from other agencies are not shown, and a match is not always found — this list may be incomplete.

In context
Among 1,320 established Physics and Astronomy PIs within our index
Citations: 60,870cohort median 4,840
h-index: 92cohort median 34
Publications / year (recent): 11.8cohort median 5.6

Typically publishes in teams of ~4 · 37% small-team papers (≤3 authors) · across 34 venues

Publication cadence
Publications per year over the last 10 years — averaging 11.8/year recently
2017: 12 publications172018: 17 publications182019: 14 publications192020: 23 publications202021: 8 publications212022: 11 publications222023: 25 publications25232024: 7 publications242025: 6 publications252026: 10 publications26
Collaborators per year
Distinct co-authors at Indiana University each year — a rough indication of whether the group around this researcher has been growing or contracting. An estimate from co-authorship, not a roster: collaborators are not necessarily lab members, and recent years can be under-counted while indexing catches up.
2017: 4 collaborators at the same institution2018: 17 collaborators at the same institution2019: 10 collaborators at the same institution2020: 3 collaborators at the same institution2021: 0 collaborators at the same institution2022: 0 collaborators at the same institution2023: 0 collaborators at the same institution2024: 0 collaborators at the same institution2025: 0 collaborators at the same institution1719212325
Recent publications
Publishes in
  • Journal of Chemical Theory and Computation×21
  • The Journal of Physical Chemistry A×19
  • The Cambridge Structural Database×14
  • Journal of the American Chemical Society×9
  • Physical Chemistry Chemical Physics×8
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This profile was generated automatically from public scholarly data (OpenAlex). Group size and activity levels are estimates derived from co-authorship patterns.

Last updated Sep 1, 2026.

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