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 […]

2022-23 Software Fellowship Competition is Now Open!

The Molecular Sciences Software Institute (MolSSI) is pleased to announce the 2022-23 Software Fellowship competition for ONE-YEAR Fellowships (from 1 July 2022 thru 30 June 2023). These prestigious 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 and […]

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: Fundamentals of Deep Learning Monday Jan. 31 & Tuesday Feb. 1, 1:00 to 5:30 PM EST Level: Beginner-Intermediate Registration closed (follow us on Twitter @MolSSI_NSF to learn of additional course offerings) Fundamentals of Accelerated […]

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 […]

Introducing Our New 2022 MolSSI 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 Software Fellows! They are: Dr. Edan Bainglass, University of North Texas Cody Drisko, University of Notre Dame Chenru Duan, Massachusetts Institute of Technology Dr. Aria Hosseini, Massachusetts Institute of Technology Heejune Park, University of […]

MolSSI to Serve as a Partner in the NSF CHE PREC Program

The CHE Partnerships for Research and Education in Chemistry (PREC) program aims to enable, build, and grow partnerships between minority-serving institutions (MSIs) and CHE-supported Centers for Chemical Innovation, NSF’s ChemMatCARS, the Molecular Sciences Software Institute (MolSSI), or the Molecule Maker Lab Institute (MMLI) to increase recruitment, retention and degree attainment (which defines the PREC pathway) by members of those […]

MolSSI Software Fellow: Dr. Giuseppe Barbalinardo

Giuseppe Barbalinardo, PhD, one of our 2019-2020 Fellows, earned his PhD in computational chemistry at UC Davis under the direction of Prof. Davide Donadio. He is currently working as a Senior Data Scientist at Tonal, a tech company in San Francisco. Under MolSSI support, Giuseppe worked with MolSSI Software Scientist Dr. Doaa Altarway on the development of an open […]

The NSF Has Renewed the MolSSI!

We are pleased to announce that the NSF has renewed its support for the Molecular Sciences Software Institute for another five years! Since its launch in 2016, the MolSSI has served as a nexus for the broad computational molecular sciences community by providing software expertise, community engagement and leadership, and education and training. Through a broad array […]

MolSSI Software Fellow: Matthew Chan

Matthew Chan, a 2021-A Seed Software Fellow, is currently a chemical and biomolecular engineering graduate student in Prof. Diwaker Shukla’s research group at the University of Illinois at Urbana-Champaign.  Under MolSSI support, Matthew worked with MolSSI Software Scientists Dr. Doaa Altarawy and Dr. Sina Mostafanejad to create a model using transfer learning that can decode the sequence, structure, and function of […]

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 […]