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.

The Road Less Traveled: Psi4NumPy

The Road Less Traveled: Psi4NumPy

Being an interdisciplinary organization, we have the pleasure of watching our scientists succeed as part of The MolSSI and within

Congratulations to the 2018 Phase-I MolSSI Software Fellows!

Congratulations to the 2018 Phase-I MolSSI Software Fellows!

After reviewing nearly 50 impressive applications, the MolSSI Board of Directors is pleased to announce that the Science and Software

Summer School and Workshop Parallel Computing in Molecular Sciences

Summer School and Workshop  Parallel Computing in Molecular Sciences

A workshop to develop high-performance parallel computing skills on the computing architectures of today and tomorrow.

MolSSI/Tapia Center Webinar: Dr. Doaa Altarawy

MolSSI/Tapia Center Webinar: Dr. Doaa Altarawy

The Richard E. Tapia Center for Excellence and Equity at Rice University is sponsoring a webinar featuring MolSSI Software Scientist,