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: 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 […]

First 2021 Software Fellowship Competition is Now Open!

The Molecular Sciences Software Institute (MolSSI) is pleased to announce the latest Software Fellowship competition, which will focus on Seed Fellowships in the current round.  These prestigious six-month Fellowships recognize advanced graduate students and postdocs pursuing the development of software infrastructure, middleware, and frameworks that will benefit the broader field of computational molecular sciences, including biomolecular […]

June Webinar Series – Fast Track Python Data and Scripting

MolSSI is pleased to announce that we will be holding a special June webinar series on our Python Data and Scripting Workshop. This workshop will be a “fast track” version of our April webinar. It will be held over the first two weeks of June, with classes taking place each Tuesday and Friday from 12 PM […]

May Webinar Series – Python Package Development Best Practices

MolSSI is pleased to announce that we will be holding a May webinar series on our Python Package Development Workshop. This workshop will be held over 4 weeks, with classes taking place on four Fridays in May (May 8, May 15, May 22, and May 29) from 1 PM to 4 PM EST (Eastern Standard Time […]

MolSSI/BioExcel Workshop on Workflows in Biomolecular Simulations: POSTPONED TO FALL 2020

Organizers: Shentenu Jha and Sam Ellis Location:  Virginia Tech Executive Briefing Center in Arlington, Virginia Dates: Expected Fall 2020 OVERVIEW The Centre of Excellence for Computational Biomolecular Research (BioExcel) and the Molecular Sciences Software Institute (MolSSI) are jointly organizing workshops on the development and application of workflow solutions for biomolecular modeling and simulations.  This first event was hosted […]