Wavefunction, Inc.

Wavefunction, Inc. is an American software company headquartered in Irvine, California, that develops and publishes molecular modeling and computational chemistry applications. Its flagship product, Spartan, is a general-purpose molecular modeling application that combines an elegant graphical user interface with integrated molecular mechanics, quantum chemical, and machine learning computational models. Spartan supports research through predictive graphical models, integrated spreadsheet and plotting tools, customizable workflows, and 2D and 3D visualization. The company also produces the Odyssey line of software, which has been developed exclusively for teaching introductory and general chemistry at the high school and university levels, offering visually rich, scientifically sound experiments and more than 150 fully integrated molecular lab activities. Wavefunction's products are used by hundreds of commercial and government research organizations and thousands of academic institutions worldwide. The Spartan Parallel Suite can interface with several databases, including the Spartan Spectra and Properties Database (SSPD), a collection of more than 315,000 molecules with structures, energies, and a host of molecular and atomic properties as well as IR and NMR spectra pre-calculated with well-documented computational approaches (ωB97X-D and EDF2 functionals). Spartan software also interfaces with the Cambridge Structural Database, the world's repository for small molecule crystal data comprising more than 1,000,000 X-ray crystal structures, and all Spartan versions can seamlessly retrieve entries in the Protein Data Bank. The company maintains an active release cycle. Spartan'26 is the current version, available for Windows, Macintosh, and Linux, and includes the new MLHF-NMR protocol for highly accurate carbon shifts of flexible organic molecules, typically requiring less than 90 seconds for common natural product structures. The release is accompanied by an updated version of the quantum computational engines to Q-Chem 6.4, several new functionals, improved frequency calculations, VCD spectra, and a retooled graphical interface with complete 2D and 3D user-views. Thirteen machine learning models trained to good quality (empirically corrected) DFT GIAO NMR shifts are available for 1H and 13C centers. In education, Spartan'26 and Spartan Student 9 support the molecular components of organic, physical, inorganic, introductory medicinal chemistry, and analytical chemistry courses, while Odyssey Instructor 7 and Student 7 include fully integrated molecular dynamics with a GUI offering a window onto molecular-level concepts in general and physical chemistry, with lab activities included. Wavefunction remains a privately held company focused on serving the chemistry research and education communities with cutting-edge molecular modeling software.

Wavefunction, Inc. is a privately held software company based in Irvine, California, that has specialized in molecular modeling and computational chemistry software for research and education. The company's flagship product, Spartan, has evolved through a long series of releases, with version history documented on the company's website. Early versions such as Spartan 1.0.1, 1.1.4, 1.3.1, and 1.4.5 were followed by numbered releases including Spartan'10, Spartan'14, Spartan'16, Spartan'18, Spartan'20, Spartan'24, and the current Spartan'26. The software has been available on Windows, Macintosh, and Linux platforms, with parallel suites for high-performance computing. The Spartan line has incorporated increasingly sophisticated computational methods. The Spartan Parallel Suite can interface with databases such as the Spartan Spectra and Properties Database (SSPD), which contains more than 315,000 molecules with pre-calculated properties and spectra, and the Cambridge Structural Database, which holds more than 1,000,000 X-ray crystal structures. All Spartan versions can retrieve entries from the Protein Data Bank. The software supports molecular mechanics, quantum chemical, and machine learning models, with recent releases adding machine learning protocols for NMR shift prediction. In parallel, Wavefunction developed the Odyssey line, designed exclusively for teaching introductory and general chemistry at the high school and university levels. Odyssey versions have included Odyssey College Chemistry v4, Odyssey High School Chemistry v4, and subsequent Molecular Explorer versions 5, 6, and 7, with Instructor and Student editions. Odyssey offers more than 150 fully integrated molecular lab activities, and instructors can modify lab protocols and questions or build custom activities. Odyssey Instructor 7 and Student 7 include fully integrated molecular dynamics with a GUI. The company has maintained a focus on both research and education markets. Spartan software is used by hundreds of commercial and government research organizations and thousands of academic institutions worldwide. The current release, Spartan'26, includes the new MLHF-NMR protocol for highly accurate carbon shifts of flexible organic molecules, typically requiring less than 90 seconds for common natural product structures. It is accompanied by an updated version of the quantum computational engines to Q-Chem 6.4, several new functionals, improved frequency calculations, VCD spectra, and a retooled graphical interface. Thirteen machine learning models trained to good quality (empirically corrected) DFT GIAO NMR shifts are available for 1H and 13C centers. In education, Spartan'26 and Spartan Student 9 support the molecular components of organic, physical, inorganic, introductory medicinal chemistry, and analytical chemistry courses. Wavefunction continues to operate as a private company, with its headquarters in Irvine, California, as indicated by public records.

• Spartan'26 released for Windows, Macintosh, and Linux, featuring the MLHF-NMR protocol and updated Q-Chem 6.4 engines.

• Spartan'24 released.

• Spartan'20 Parallel Suite released.

• Spartan'18 Parallel Suite released.

• Spartan'16 Parallel Suite released.

• Spartan'14 Parallel Suite released (64-bit and 32-bit).

• Spartan'10 Parallel Suite released.

• Odyssey Molecular Explorer v7 released, with Instructor and Student editions.

• Odyssey Molecular Explorer v6 released.

• Odyssey Molecular Explorer v5 released.

• Odyssey College Chemistry v4 and Odyssey High School Chemistry v4 released.

Cutting-edge molecular modeling software for chemistry research and education, used by commercial, government, and academic institutions worldwide.

• Spartan'26

  General purpose molecular modeling application with integrated molecular mechanics, quantum chemical, and machine learning models; includes MLHF-NMR protocol and Q-Chem 6.4 engines.

• Spartan Student 9

  Student edition of Spartan for molecular components of chemistry courses.

• Odyssey Instructor 7

  Instructor edition of Odyssey with fully integrated molecular dynamics and GUI for teaching general and physical chemistry.

• Odyssey Student 7

  Student edition of Odyssey with fully integrated molecular dynamics and GUI.

• Spartan Parallel Suite

  Parallel computing version of Spartan that can interface with databases such as SSPD and CSD.

1. 1Molecular modeling softwarewavefun.com
2. 2Spartan Version History | wavefunctionwavefun.com
3. 3Odyssey Version History | wavefunctionwavefun.com
4. 4PRODUCTS | wavefunctionwavefun.com
5. 5Wavefunction (United States) - Wikidatawikidata.org