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 […]
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 […]
Introducing MolSSI’s 2022-23 Software Fellows!
After reviewing many impressive applications, the MolSSI is pleased to announce that the Science and Software Advisory Board has selected our new 2022-23 Software Fellows! They are: Melisa Alkan, Iowa State University Samuel Bekoe, University of California, Irvine Maria A. Castellanos, Massachusetts Institute of Technology Pratiksha Gaikwad, University of Florida Alexander Heide, University of Georgia Jiyoung Lee, […]
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 […]
MolSSI/NVIDIA Certified Hands-on Workshops in HPC and ML
The Molecular Sciences Software Institute (MolSSI) and NVIDIA Deep Learning Institute (DLI) invite you to register for upcoming hands-on on workshops in high-performance computing and machine learning: The number of seats are limited and in order to ensure the quality of these workshops, we will not extend the registration capacity. Therefore, we encourage everyone to sign up as early […]
MolSSI Workshops at the 2022 Biennial Conference on Chemical Education (BCCE)
The Molecular Sciences Software Institute is hosting two events at the 2022 Biennial Conference on Chemical Education (BCCE). BCCE is a national meeting sponsored by the Division of Chemical Education of the American Chemical Society (ACS). The conference is designed for those who teach chemistry at all levels, and is taking place July 31 to August 4, at […]