LabCompass

Srinivasan S. Iyengar

Physics and Astronomy · Indiana University

OpenAlex ORCID
Established · publishing since 1991Rising activity
Advanced Chemical Physics StudiesSpectroscopy and Quantum Chemical StudiesQuantum Computing Algorithms and ArchitectureQuantum, superfluid, helium dynamicsMolecular spectroscopy and chirality

Publications

118

Citations

4,228

Est. group size

—

Recurring co-author estimate

Active years

36

Publishing since 1991

Research summary
AI-generated

Srinivasan S. Iyengar develops computational methods to study how molecules move and vibrate, combining quantum chemistry with quantum computing. His recent work builds algorithms that run molecular simulations on quantum computers (including distributed ion-trap systems) and applies machine-learning ideas to map out how molecules' energy changes with their shape. A recurring focus is treating quantum behavior of atomic nuclei, such as hydrogen bonds in water clusters.

Quantum computing algorithms for chemistryMolecular and nuclear quantum dynamicsMolecular fragmentation and many-body methodsMachine learning for potential energy surfacesTensor networks and simulation methods

Publication activity has been steady, averaging roughly six papers per year over the last five years with a peak in 2023.

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

Funding
Public award records

Current awards run through May 2027 — about under a year of funding on record from today. Awards are often renewed, so this is what is currently public, not a forecast.

  • ActiveNSF 2102610through May 2027 · $450k awarded

    Ab Initio molecular Dynamics with Quantum Nuclear Effects: Potential Surfaces and Gradients from on-the-fly Graph-Theory-Based Molecular Fragmentation Methods

5 earlier awards
  • NSF 1936353Sep 2019 – Aug 2024 · $2.0M awarded

    QII-TAQS: Simulating Entangled Quantum Chemical Abstract Machines

  • NSF 1665336Aug 2017 – Jul 2020 · $435k awarded

    Ab initio molecular dynamics with quantum nuclear effects: potential surfaces and gradients from on-the-fly fragment based electronic structure methods

  • NSF 1058949Aug 2011 – Jul 2016 · $420k awarded

    Development and application of Quantum wavepacket ab initio molecular dynamics for study of vibrational properties in hydrogen bonded systems

  • NIH R01GM087475Aug 2009 – Jul 2013 · $217k awarded

    Quantum wavepacket ab initio dynamical studies of hydrogen transfer catalysis in

  • NSF 0750326Feb 2008 – Jan 2011 · $400k awarded

    Development and application of Quantum wavepacket ab initio molecular dynamics for study of vibrational properties in hydrogen bonded systems

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: 4,228cohort median 4,840
h-index: 31cohort median 34
Publications / year (recent): 6.2cohort median 5.6

Typically publishes in teams of ~3 · 61% small-team papers (≤3 authors) · across 12 venues

Publication cadence
Publications per year over the last 10 years — averaging 6.2/year recently
2017: 4 publications172018: 4 publications182019: 7 publications192020: 2 publications202021: 4 publications212022: 6 publications222023: 9 publications9232024: 7 publications242025: 1 publication252026: 8 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: 1 collaborator at the same institution2018: 0 collaborators at the same institution2019: 1 collaborator at the same institution2020: 0 collaborators at the same institution2021: 0 collaborators at the same institution2022: 3 collaborators at the same institution2023: 0 collaborators at the same institution2024: 3 collaborators at the same institution2025: 1 collaborator at the same institution1719212325
Recent publications
Publishes in
  • Journal of Chemical Theory and Computation×18
  • arXiv (Cornell University)×15
  • The Journal of Physical Chemistry A×6
  • Faraday Discussions×4
  • The Journal of Chemical Physics×2
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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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