News & Events


  • April Webinar Series – Python Package Development Best Practices

    EDIT: We appreciate the great response we’ve seen to this workshop offering. We had capped the registration at 50 people to ensure that we can provide a high quality workshop to attendees, and we’ve already hit the registration limit. We are currently reviewing our personnel allocations for the workshop to see if we can expand…

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  • 2024-25 Software Fellowship Competition is Now Open!

    If you missed the Informational Webinar about the MSF Program on March 1, you can access the Zoom recording via THIS LINK. The Molecular Sciences Software Institute (MolSSI) is pleased to announce that the 2024-25 Software Fellowship competition is now open for submissions for ONE-YEAR Fellowships (from 1 July 2024 thru 30 June 2025). These…

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  • Accelerating Curricular Transformation in the Computational Molecular Sciences Program

    The Molecular Sciences Software Institute (MolSSI) is delighted to announce the launch of a new education and faculty development program: Accelerating Curricular Transformation in the Computational Molecular Sciences (ACT-CMS). The goal of ACT-CMS is to transform science curricula by accelerating the integration of programming and computation into existing molecular science courses through faculty training and the…

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  • Hands-on Fundamentals of Accelerated Computing with CUDA C/C++ Workshop

    NVIDIA Deep Learning Institute (DLI) is conducting a series of free virtual workshops for academia and higher education in the North America. Join the MolSSI Industrial Training Program and our Software Scientist and Certified Instructor, Dr. Sina Mostafanejad for a hands-on Fundamentals of Accelerated Computing with CUDA C/C++ workshop on November 10 from 11:00AM-7:00 PM…

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  • Basics of Accelerated Computing with Intel OpenMP GPU Offload

    The Molecular Sciences Software Institute (MolSSI) and Intel invite you to attend our hands-on Basics of Accelerated Computing with Intel OpenMP GPU Offload virtual workshop on Oct. 27, 2023 from 11:30 – 16:00 ET. Come join us and see how Intel OpenMP helped community codes like NWChem perform compute- and data-intensive tasks more efficiently.  You…

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  • Call for Proposals for 2024 Molecular Science Software Workshops!

    The Molecular Sciences Software Institute is now accepting proposals for its 2024 Software Workshops. Proposed events should focus on software-related challenges relevant to the broad field of computational molecular sciences, including biomolecular and macromolecular simulation, quantum chemistry, and materials science. MolSSI workshops typically last 2-3 days and receive logistical and financial support from the Institute.…

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  • QCArchive v0.50 Released

    Tuesday, Sept. 12, 2023Release Information and Documentation: https://molssi.github.io/QCFractal/ The Molecular Sciences Software Institute is excited to announce the release of QCArchive v0.50. QCArchive is a MolSSI open-source software product that allows users to run a large number of QM calculations and archive the results. This release has numerous new improvements and features: Want to learn more…

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  • Introduction to QCArchive: Free Online Webinar!

    Join us on Thursday, Sept. 21 from 1-3 pm ET (10 am – 12 pm PT) for a webinar introducing the newly released QCArchive software.  QCArchive is a MolSSI open-source software product that helps users run large numbers of QM calculations and archive the results.  In this interactive webinar, we will introduce the features, use cases,…

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