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Published November 29, 2025 | Version v5.11.0
Software Open

Libra v5.11.0: kc-RPMD, TSH recipes, polaritonic Hamiltonians, initial CSF and citools module, updated Bohmian module

Authors/Creators

  • 1. University at Buffalo, State University of New York
  • 2. University of South Carolina
  • 3. Toyota Central Research and Development Laboratories
  • 4. Georgia Institute of Technology
  • 5. ROR icon New York University
  • 6. University of California, Los Angeles
  • 7. Hunan Agricultural University
  • 8. New York University Shanghai
  • 9. University of Southern California
  • 10. Budapest University of Technology and Economics
  • 11. Indian Institute of Technology Bombay

Description

Libra is a modular software for quantum nonadiabatic dynamics methodology development and applications. It implements a range of quantum, quantum-classical, and semiclassical methodologies for modeling excited states and quantum nonadiabatic processes, including but not limited to a variety of trajectory surface hopping, Ehrenfest, HEOM, and other methodologies. It can be applied to abstract and atomistic systems with thousands of atoms.

Notes

If you use this software, please cite it using the metadata from this file.

Files

Quantum-Dynamics-Hub/libra-code-v5.11.0.zip

Files (49.9 MB)

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Additional details

Related works

Is supplement to
Software: https://github.com/Quantum-Dynamics-Hub/libra-code/tree/v5.11.0 (URL)

Software

Repository URL
https://github.com/Quantum-Dynamics-Hub/libra-code