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.

Summer School and Workshop 2019: Parallel Computing in Molecular Sciences

Summer School and Workshop 2019:  Parallel Computing in Molecular Sciences

Summer School The parallel computing in molecular sciences summer school is focused on educating and training a new generation of

Meet Software Scientist Taylor Barnes!

Meet Software Scientist Taylor Barnes!

At The MolSSI, we have an exceptional team working to create pathways for solving the NSF’s Grand Challenges. Over the

MolSSI Sustainable Software Symposium at Spring 2019 ACS Meeting

MolSSI Sustainable Software Symposium at Spring 2019 ACS Meeting

MolSSI is pleased to host the symposium “Sustainable Software for Computational Molecular Science” at the Spring 2019 ACS Meeting in

MolSSI Announces the New Basis Set Exchange

MolSSI Announces the New Basis Set Exchange

The MolSSI and the Environmental Molecular Sciences Laboratory (EMSL) are proud to announce a beta release of a new Basis