The Molecular Sciences Software Institute serves as a nexus for science, education, and cooperation serving the worldwide community of computational molecular scientists – a broad field including of biomolecular simulation, quantum chemistry, and materials science.

People

At the heart of the MolSSI's effort is a team of molecular scientists, computer scientists, and applied mathematicians with advanced software engineering expertise. The MolSSI team is made up of the Board of Directors, the Science and Software Advisory Board, and the Software Scientists, and the Software Fellows.

Resources

The MolSSI provides access to both software tools and educational materials relevant to the computational molecular sciences. We welcome community contributions to the available resources.

Education & Outreach

The MolSSI supports a series of community-led workshops targeting software-related challenges relevant to the computational molecular sciences, as well as numerous Software Summer Schools focused on students across the U.S.

News & Events

Look here for information about upcoming MolSSI-sponsored events, as well as details regarding Software Fellowships, open Software Scientist positions, and much more.

May Webinar Series – Python Package Development Best Practices

May Webinar Series – Python Package Development Best Practices

MolSSI is pleased to announce that we will be holding a May webinar series on our Python Package Development Workshop.

MolSSI’s Response to the COVID-19 Pandemic

MolSSI’s Response to the COVID-19 Pandemic

MolSSI is coordinating and has built the COVID-19 Molecular Structure and Therapeutics Hub (covid.molssi.org) to gather and disseminate the molecular

April Webinar Series – Python Data and Scripting Course

April Webinar Series – Python Data and Scripting Course

The April Python Data and Scripting Course is full. Please continue to watch our website and Twitter for future webinar

Call for Manuscript Submissions: Physical Chemistry Chemical Physics (PCCP) on Quantum Computing and Quantum Information Storage

Call for Manuscript Submissions: Physical Chemistry Chemical Physics (PCCP) on Quantum Computing and Quantum Information Storage

The guest-editors of PCCP (John Doyle, Anna Krylov, and Kang-Kuen Ni) are excited to announce an upcoming themed collection in