News & EventsCurrent & Upcoming

“Teaching Programming Across the Chemistry Curriculum:” An ACS Symposium Series Book

“Teaching Programming Across the Chemistry Curriculum:” An ACS Symposium Series Book

Prof. Ashley Ringer McDonald, Associate Professor in the Dept. of Chemistry and Biochemistry at Cal Poly and a MolSSI Associate,

2021 MolSSI Community-Led Workshops Focusing on HPC

2021 MolSSI Community-Led Workshops Focusing on HPC

2021 MolSSI Software Workshops on High Performance Computing The Molecular Sciences Software Institute (MolSSI) is now accepting proposals for Software

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.

Meet Software Scientist Benjamin Pritchard!

Meet Software Scientist Benjamin Pritchard!

Turn back the calendar about 15 years and picture Dr. Benjamin Pritchard wielding up to a half dozen tennis balls

Congratulations to the 2020-B and COVID-19 MolSSI Seed Software Fellows!

Congratulations to the 2020-B and COVID-19 MolSSI Seed Software Fellows!

After reviewing more than 50 impressive applications, the MolSSI is pleased to announce that the Science and Software Advisory Board

Congratulations to the 2020-B MolSSI Investment Software Fellows!

Congratulations to the 2020-B MolSSI Investment Software Fellows!

After reviewing over 50 impressive applications, the MolSSI is pleased to announce that the Science and Software Advisory Board has

May Webinar Series – Python Package Development Best Practices

May Webinar Series – Python Package Development Best Practices

MolSSI is pleased to announce that we will be holding a May webinar series on our Python Package Development Workshop.

MolSSI’s Response to the COVID-19 Pandemic

MolSSI’s Response to the COVID-19 Pandemic

MolSSI COVID-19 Molecular Structure and Therapeutics Hub: MolSSI is coordinating and has built the COVID-19 Molecular Structure and Therapeutics Hub


News & EventsPast

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

MolSSI Workshop: Molecular Dynamics Software Interoperability

MolSSI Workshop: Molecular Dynamics Software Interoperability

Organizers: Matthieu Chavent​ (IPBS, Toulouse, France), ​John Chodera​ (MSKCC, New York, USA), Karmen Čondić-Jurkić (MSKCC, New York, USA), ​Erik Lindahl​ (KTH, Stockholm, Sweden),

MolSSI Workshop: Software for Advanced Potential Energy Surfaces

MolSSI Workshop: Software for Advanced Potential Energy Surfaces

This workshop addressed open software questions across a variety of advanced force fields focused on non-reactive and reactive force fields.

MolSSI Workshop: The Open Molecular Science Cloud in Perugia and Rome, Italy

MolSSI Workshop: The Open Molecular Science Cloud in Perugia and Rome, Italy

The MolSSI was pleased to sponsor a select number of graduate students and postdocs from the U.S. to participate in