News & EventsCurrent & Upcoming

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 is coordinating and has built the COVID-19 Molecular Structure and Therapeutics Hub (covid.molssi.org) to gather and disseminate the molecular

MolSSI is Seeking Software Scientists in Quantum Chemistry, Biophysical Science, or Computational Materials Science

MolSSI is Seeking Software Scientists in Quantum Chemistry, Biophysical Science, or Computational Materials Science

The Molecular Sciences Software Institute (MolSSI) located at Virginia Tech seeks candidates for multiple software scientist positions in the areas of computer science and software engineering.

April Webinar Series – Python Data and Scripting Course

April Webinar Series – Python Data and Scripting Course

The April Python Data and Scripting Course is full. Please continue to watch our website and Twitter for future webinar

Call for Manuscript Submissions: Physical Chemistry Chemical Physics (PCCP) on Quantum Computing and Quantum Information Storage

Call for Manuscript Submissions: Physical Chemistry Chemical Physics (PCCP) on Quantum Computing and Quantum Information Storage

The guest-editors of PCCP (John Doyle, Anna Krylov, and Kang-Kuen Ni) are excited to announce an upcoming themed collection in

Second 2020 MolSSI Software Fellowship Competition: Deadline Extended to April 6th

Second 2020 MolSSI Software Fellowship Competition: Deadline Extended to April 6th

We have two important announcements regarding the open MolSSI Software Fellowship Competition: We will set aside a special pool of Seed


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