Science Gateways

XSEDE creates Science Gateways, customized portals granting members access to HPC applications, workflows, shared data and other services. XSEDE Gateways unite communities of like-minded members, whether united by discipline or other criteria. Please visit the XSEDE website for more on the following topics:

Chem Compute

Mark Perri
Field of Science
Relevant Link(s)
Portal Homepage
Additional Contact(s)
Mark Perri

Description: 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.