Wavefunction provides cutting edge molecular modeling software for use in research and education. Our flagship Spartan software is used by hundreds of commercial and government research organizations and thousands of academic institutions world-wide. For determining molecular structure and calculating chemical properties, there is no better tool. The iSpartan app brings our high quality graphical interface and accurate computational models to the iPad, iPhone and iPod Touch. When combined with Spartan'20, this enables the first fully-functional open-ended molecular modeling environment on the most popular mobile technology.

Spartan'20 for Windows, Macintosh and Linux

The latest release of the ultimate desktop application for chemistry research in industry and academia. A full range of theoretical models are available from the most intuitive user interface in the business. Enhanced, Refined, and Faster than ever. Spartan'20 licenses are configured to utilize up to 16 cores for select tasks as well as the Spartan Spectra and Properties Database, and the ability to act as a Computational Server for jobs submitted from other Spartan licenses, or iSpartan apps (on the iPad, iPhone, or iPod Touch).

A greater than 16 core license is available to provide full parallelization for HPC systems with 32+ cores.

Computational chemistry like never before.

Minimum System Requirements (Windows)

Modern Intel or AMD Processors

(64-Bit Only)

4 GB RAM

Windows 7, 8.1, or 10

128 GB disk space or higher

(SSD recommended)

Minimum System Requirements (Macintosh)

Intel or M1 chip Macintosh (only)

4 GB RAM or higher

OS X 10.12, 10.13, 10.14, 10.15, 11.X

128 GB disk space or higher

(SSD recommended)

Minimum System Requirements (Linux)

Modern Intel or AMD Processors (64 bit only)

4 GB RAM

Linux RHEL 8, CentOS 8, Ubuntu 20.04 LTS

128 GB disk space or higher (SSD recommended)

Spartan Student V8 for Windows and Macintosh

Molecular Modeling for the Undergraduate Chemistry Curriculum

Spartan Student Edition provides affordable molecular modeling software and modern computational methods to explore general, organic, physical, and inorganic chemistry topics in undergraduate chemistry.

A targeted subset of features provides a highly flexible and functional interface with a streamlined set of computational models including MMFF (molecular mechanics), PM3 (semi-empirical), Hartree Fock, B3LYP, EDF2 and ωB97X-D (density functional theory), MP2 and T1. Available licensing for schools, or as student purchases, this application is an ideal tool for both utilizing molecular modeling in the undergraduate curriculum and introducing future chemists to molecular modeling and computational chemistry.

??Spartan Student Edition supports chemistry education! With 3D molecule builders including organic, inorganic, peptide and nucleotide as well as a fully integrated 2D sketching environment, students can easily build almost any molecule or system. Computational models allow for elucidation of structure, properties, and energies. Tools for constructing and isolating transition states allow for exploration of reactions and reaction sequences. Energy profile calculations allow for exploration of explicit conformational flexibility, and the Equilibrium Conformer and Conformer Distribution tasks enable full conformational analysis (using MMFF) for flexible molecules.

Seamlessly interface the PDB (Protein Data Bank) to access published protein and nucleic acid structures via PDB-ID. Additional seamless web-based connections to the NMR Shift DB and the NIST Chemistry WebBook allow for calculated NMR and IR spectra to be compared with experimental spectra.

Quick Navigation;