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 […]
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 […]
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 […]
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, […]
Basics of Accelerated Computing with Intel OpenMP GPU Offload
Join Molecular Sciences Software Institute (MolSSI) and Intel for the upcoming hands-on Basics of Accelerated Computing with Intel OpenMP GPU Offload virtual workshop: You can stay up-to-date about the upcoming workshops by subscribing to our newsletter here or following the updates posted on our Industrial Training Program webpage.
Machine Learning and Chemistry: Are We There Yet?
The workshop schedule is now available at THIS LINK! Organizers: Pratyush Tiwary, University of Maryland, College ParkCecilia Clementi, Free University BerlinTeresa Head-Gordon, University of California, Berkeley In recent years, the field of machine learning (ML) has seen an incredible and sustained surge in interest. From image classifiers to board games to protein structure prediction, ML […]
Fundamentals of Data-Parallel C++ and SYCL
The Molecular Sciences Software Institute (MolSSI) and Intel invite you to register for the upcoming Fundamentals of Data-Parallel C++ and SYCL workshop: Registration: https://molssi.typeform.com/to/mO4Gly5T Level: Intermediate-Advanced Date: September 29 and 30 at 11:00-16:00 ET We encourage everyone to sign up as early as possible due to the limited number of seats available. You can stay up-to-date about the […]
MolSSI Workshop on HPC in Computational Chemistry and Materials Science
This fully virtual workshop will focus on parallel programming models and algorithms used in or beneficial to our community, as well as recent success stories in codes and methods development for advanced simulations in our field. One key objective of the workshop is to improve and develop the skill-sets of the next-generation of computational chemistry […]
2021 Interoperability Workshop
In 2017, the MolSSI held an Interoperability Workshop during which we asked the community to clarify current needs for interoperability among computational molecular sciences (CMS) codes. We have spent the past four years diligently working towards general solutions to these complex problems, and are excited to announce that several MolSSI interoperability projects are ready for […]
2021 MolSSI Community-Led Workshops Focusing on HPC
2021 MolSSI Software Workshops on High Performance Computing The Molecular Sciences Software Institute (MolSSI) is now accepting proposals for Software Workshops focusing on High Performance Computing (HPC). The purpose of these workshops is to bring key software developers and users together to identify and discuss the most important questions we face as a community in […]