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.

Meet Lead Software Scientist Paul Saxe!

Meet Lead Software Scientist Paul Saxe!

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

New 2019 Software Fellowship Competition Now Open!

New 2019 Software Fellowship Competition Now Open!

The Molecular Sciences Software Institute (MolSSI) is pleased to announce the third Software Fellowship competition and the second compeition of 2018.

Enabling Quantum Leap: Workshop on quantum algorithms for quantum chemistry and materials

Enabling Quantum Leap: Workshop on quantum algorithms for quantum chemistry and materials

A workshop to explore mechanisms to advance the science, collaboration, education, funding, and broad impacts of quantum computing as applied to quantum simulation.

Congratulations to the First 2019 MolSSI Seed Software Fellows!

Congratulations to the First 2019 MolSSI Seed Software Fellows!

After reviewing nearly 40 impressive applications, the MolSSI is pleased to announce that the Science and Software Advisory Board has