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.
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.
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.
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.
Look here for information about upcoming MolSSI-sponsored events, as well as details regarding Software Fellowships, open Software Scientist positions, and much more.
A webinar by MolSSI Software Fellow Dr. Eric Irrgang on the gmxapi framework for molecular simulation.
A school targeted for graduate students doing research in electronic theory as well as postdoctoral fellows and faculty at undergraduate institutions interested in learning about stochastic electronic structure methods.
Our Software Fellows program is one of our highest impact endeavors to date. The purpose of this fellowship is to
This year, the MolSSI will be hosting a pre-conference workshop at the 2018 MERCURY Conference, an annual meeting held by
