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 […]

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 […]

2021 Interoperability Workshop

In 2017, the MolSSI held an Interoperability Workshop during which we asked the community to clarify current needs for interoperability among computational molecular sciences (CMS) codes.  We have spent the past four years diligently working towards general solutions to these complex problems, and are excited to announce that several MolSSI interoperability projects are ready for […]

2021-B Software Fellowship Competition is Now Open!

The Molecular Sciences Software Institute (MolSSI) is pleased to announce the latest Software Fellowship competition for Seed Fellowships only (for July-December 2021 funding). These prestigious six-month 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 Software Fellow: Dr. Marc Riera Riambau

Marc Riera Riambau, PhD, one of our 2018/2019 Seed and Investment Fellows, earned his PhD in computational chemistry at UC San Diego under the direction of Prof. Francesco Paesani. He is currently working as a postdoc at UCSD toward the development of a molecular dynamics package that will enable simulations using extremely accurate potential energy surfaces.  […]

MolSSI Software Fellow: Caitlin C. Bannan

Dr. Caitlin C. Bannan, one of our former MolSSI Software Seed and Investment Fellows, is currently a Scientific Developer at OpenEye Scientific Software in New Mexico. She earned her PhD at UC Irvine with Prof. David Mobley. Her experience focuses on improving computational methods for small molecule drug design with expertise in alchemical free energy calculations, machine learning […]