Science Gateways (1-2 of 2)

1. Chem Compute

   09 May 2024 |

   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...

2. ORCA(Quantum Chemistry Program)

   09 May 2024 |

   The program ORCA is a modern electronic structure program package. ORCA is a flexible, efficient and easy-to-use general purpose tool for quantum chemistry with specific emphasis on spectroscopic properties of open-shell molecules. It features a wide variety of...