MDAnalysis/MolSSI Workshop at Arizona State University
MDAnalysis, in conjunction with the Molecular Sciences Software Institute(MolSSI) and with the support of the Chan Zuckerberg Initiative, and the Center for Biological Physics, is holding a free, 2-day workshop on June 24th-25th, 2024 at Arizona State University in Tempe, Arizona, USA. This two-day workshop is designed to transform attendees from users to developers and will cover an introduction to MDAnalysis, software best practices, […]
Two-Day Workshop on Python Scripting and AI-Assisted Coding
Join us for an engaging two-day workshop designed to teach programming and data handling skills using Python for people working in the molecular sciences and learn how to speed and enhance your learning using artificial intelligence. This event is ideal for students and professionals eager to get started with Python scripting and interested in leveraging […]
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 […]
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 […]
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 […]