2024-25 Software Fellowship Competition is Now Open!

We have scheduled an Informational Webinar about the MSF Program on Friday, March 1st, at 1:00 PM ET (10:00 AM PT). Register for the info session at https://molssi.typeform.com/to/nQEduQqs to receive the zoom link for the webinar. The Molecular Sciences Software Institute (MolSSI) is pleased to announce that the 2024-25 Software Fellowship competition is now open […]

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 […]

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 […]

MolSSI Community Highlight: Dr. Jeffrey Wagner, Open Force Field Consortium

MolSSI Community Highlights spotlight exceptional examples of research and education enabled by MolSSI software and educational resources. Dr. Jeffrey Wagner (Technical lead at the Open Force Field Consortium) and his team focus on the development of accurate and transferable molecular mechanics force fields using a combination of quantum mechanics (QM) and experimental data. In this […]

MolSSI Community Highlight: Dr. Danny Perez, Los Alamos National Laboratory

MolSSI Community Highlights spotlight exceptional examples of research and education enabled by MolSSI software and educational resources. Dr. Danny Perez (Scientist IV in the Theory Division at Los Alamos National Laboratory) and his group focus on the development, implementation, and applications of long-timescale methods for atomistic simulation of materials through their work with the Exascale […]

MolSSI Community Highlight: Prof. Ryan C. Fortenberry, University of Mississippi

MolSSI Community Highlights spotlight exceptional examples of research and education enabled by MolSSI software and educational resources. Dr. Ryan C. Fortenberry, Associate Professor of Chemistry at the University of Mississippi, and his group focus on Theoretical Astrochemistry. They use computers to simulate the way light interacts with molecules and how molecules interact with each other […]

MolSSI Community Highlight: Prof. Jay Foley, UNC Charlotte

MolSSI Community Highlights spotlight exceptional examples of research and education enabled by MolSSI software and educational resources. Prof. Jay Foley (Associate Professor of Chemistry at University of North Carolina, Charlotte) and his group have harnessed the power of MolSSI Educational resources to transform their approach to scientific software development. In this post, Prof Foley tells […]

2024-25 Software Fellowship Competition Opens on February 15

The Molecular Sciences Software Institute (MolSSI) is pleased to announce that the 2024-25 Software Fellowship competition will be open for submissions for ONE-YEAR Fellowships (from 1 July 2024 thru 30 June 2025) on February 15. These prestigious Fellowships recognize advanced graduate students and postdocs pursuing the development of software infrastructure, middleware, and frameworks that will […]

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’s Two-Phase Materials Science Workshop

MolSSI’s Materials Science Workshop, organized by Prof. Dominika Zgid at the University of Michigan, is intended to connect the materials science community and to identify and examine the specific initiatives that MolSSI can undertake that will be most beneficial. While the materials science community is very large and diverse, we will focus here on the part of the community […]