The Chem Compute website allows students to easily access state of the art computational software for free. Our hope is that this will enable faculty to incorporate computational chemistry into their undergraduate teaching and research curriculum without the hassle of compiling, installing, and maintaining software and hardware. The site features two modes: Student Mode guides students step by step through laboratory exercises. Researcher Mode allows students to directly upload input files for their calculations. Quantum Chemistry calculations are processed through the GAMESS software and Molecular Dynamics simulations are performed with TINKER.

mark.perri@sonoma.edu

https://chemcompute.org/

cyoun

Researchers should cite this work as follows:

• (2024), "Chem Compute," https://sciencegateways.org/resources/chemcompute.

  BibTex | EndNote

1. ACCESS-CI
2. Chem Compute
3. Classroom
4. Gamess
5. Quantum Chemistry
6. SGCI Client
7. TINKER