Community Workshops
The MolSSI’s Software Workshop program is a community-driven effort in which researchers from academia, industry, and national labs propose timely and important topics focused on the software needs of the molecular sciences, and the MolSSI organizes or facilitates the event. We held 30 such workshops involving nearly 900 participants during the MolSSI’s first five years, and these workshops provided a key mechanism for community buy-in, to gain insights into the needs of the molecular sciences community, and to facilitate interactions among its members. With workshops on interoperability, materials science, biomolecular simulation, core components of quantum chemistry, software best practices, workflows, quantum chemistry schema, advanced potential energy surfaces, and more, we were able to engage much of the domain diversity of the field.