2023-24 Software Fellowship Competition Opens on February 15

The Molecular Sciences Software Institute (MolSSI) is pleased to announce that the 2023-24 Software Fellowship competition will be open for submissions for ONE-YEAR Fellowships (from 1 July 2023 thru 30 June 2024) on February 15. These prestigious Fellowships recognize advanced graduate students and postdocs pursuing the development of software infrastructure, middleware, and frameworks that will benefit the […]

Machine Learning and Chemistry: Are We There Yet?

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 and big data and internet are making large impacts […]

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: 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 […]