News & EventsCurrent & Upcoming

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

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

MolSSI Software Fellow: Dr. Giuseppe Barbalinardo

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

The NSF Has Renewed the MolSSI!

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

MolSSI Software Fellow: Matthew Chan

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

MolSSI Workshop on HPC in Computational Chemistry and Materials Science

MolSSI Workshop on HPC in Computational Chemistry and Materials Science

This workshop will focus on parallel programming models and algorithms used in or beneficial to our community, as well as

Meet Software Scientist Dr. Sina Mostafanejad

Meet Software Scientist Dr. Sina Mostafanejad

Dr. Sina Mostafanejad, the only former MolSSI Software Fellow to have joined the Software Scientist ranks, was born in Sari,

MolSSI Software Fellow: Dr. Marc Riera Riambau

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

MolSSI Software Fellow: Caitlin C. Bannan

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


News & EventsPast

2021 Interoperability Workshop

2021 Interoperability Workshop

In 2017, the MolSSI held an Interoperability Workshop during which we asked the community to clarify current needs for interoperability

2021-B Software Fellowship Competition is Now Open!

2021-B Software Fellowship Competition is Now Open!

The Molecular Sciences Software Institute (MolSSI) is pleased to announce the third Software Fellowship competition and the second compeition of 2018.

First 2021 Software Fellowship Competition is Now Open!

First 2021 Software Fellowship Competition is Now Open!

The Molecular Sciences Software Institute (MolSSI) is pleased to announce the third Software Fellowship competition and the second compeition of 2018.

2020 MolSSI Community-Led Workshops

2020 MolSSI Community-Led Workshops

2020 MolSSI Software Workshops The Molecular Sciences Software Institute (MolSSI) is pleased to announce a call for proposals for its

MolSSI Workshop: A Science Gateway for Atomic and Molecular Physics

MolSSI Workshop: A Science Gateway for Atomic and Molecular Physics

A workshop focused on ensuring that the computational tools Atomic and Molecular Physics be available and easily used by future generations of scientists

MolSSI Workshop: Rovibrational Molecular Spectroscopy

MolSSI Workshop: Rovibrational Molecular Spectroscopy

Organizers: Bill Poirier (Texas Tech), Attila Császár (Eötvös Lorand U.), Jonathan Tennyson (University College London) Location:  MolSSI Headquarters, Blacksburg, Virginia Dates: 14-15 November

APPLICATION DEADLINE EXTENDED: 2020 Software Fellowship Competition

APPLICATION DEADLINE EXTENDED:  2020 Software Fellowship Competition

The Molecular Sciences Software Institute (MolSSI) is pleased to announce the latest Software Fellowship competition, with the application deadline extended

MolSSI Workshop: Machine Learning and Chemistry: Challenges on the Way Forward

MolSSI Workshop: Machine Learning and Chemistry: Challenges on the Way Forward

Organizers: Pratyush Tiwary (U. Maryland), Olexandr Isayev (Carnegie Mellon U.), Adrian Roitberg (U. Florida) Location:  College Park, Maryland Dates: 16-18 November 2019 In