The Molecular Sciences Software Institute is a nexus for science, education, and cooperation, whose mission is to serve the worldwide community of computational molecular scientists – a broad field that includes 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.

MolSSI Workshop on HPC in Computational Chemistry and Materials Science

MolSSI Workshop on HPC in Computational Chemistry and Materials Science

This workshop will focus on parallel programming models and algorithms used in or beneficial to our community, as well as

2021 Interoperability Workshop

2021 Interoperability Workshop

In 2017, the MolSSI held an Interoperability Workshop during which we asked the community to clarify current needs for interoperability

MolSSI Software Fellow: Dr. Marc Riera Riambau

MolSSI Software Fellow: Dr. Marc Riera Riambau

Marc Riera Riambau, PhD, one of our 2018/2019 Seed and Investment Fellows, earned his PhD in computational chemistry at UC