News & EventsCurrent & Upcoming

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

Organizers: Teresa Head-Gordon (U.C. Berkeley) and Susan B. Sinnott (Penn State U.) Location: Berkeley, California Dates: 1-2 August 2019 Advanced

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

Congratulations to the 2019-B MolSSI Investment Software Fellows!

Congratulations to the 2019-B MolSSI Investment Software Fellows!

After reviewing nearly 40 impressive applications, the MolSSI is pleased to announce that the Science and Software Advisory Board has

Congratulations to the 2019-B MolSSI Seed Software Fellows!

Congratulations to the 2019-B MolSSI Seed Software Fellows!

After reviewing nearly 40 impressive applications, the MolSSI is pleased to announce that the Science and Software Advisory Board has


News & EventsPast

MolSSI Workshop for SSE/SSI PIs

MolSSI Workshop for SSE/SSI PIs

A workshop focused on PIs of current SSE/SSI projects that are relevant to the computational molecular sciences.

MolSSI/Tapia Center Webinar: Dr. Eliseo Marin-Rimoldi

MolSSI/Tapia Center Webinar: Dr. Eliseo Marin-Rimoldi

In this special webinar, Dr. Marin-Rimoldi will discuss how classical molecular simulations can be applied to obtain phase equilibria properties of novel systems with special emphasis on Monte Carlo simulations.

MolSSI/Tapia Center Webinar: Dr. Daniel Smith

MolSSI/Tapia Center Webinar: Dr. Daniel Smith

The Richard E. Tapia Center for Excellence and Equity at Rice University sponsored a webinar featuring MolSSI Software Scientist, Dr. Daniel Smith, on Thursday, March 22nd, at 4:00pm EDT.

MolSSI Workshop on Modular Software Infrastructure for Excited State Dynamics

MolSSI Workshop on Modular Software Infrastructure for Excited State  Dynamics

Organizer: Prof. Alexey Akimov Location: University at Buffalo, Buffalo, NY Dates: 8-11 June 2018 The workshop brought together quantum chemistry

MolSSI/Science Gateways Community Institute Workshop

MolSSI/Science Gateways Community Institute Workshop

A workshop focused on science gateways for the molecular sciences community.

Congratulations to the 2018 Phase-I MolSSI Software Fellows!

Congratulations to the 2018 Phase-I MolSSI Software Fellows!

The MolSSI Board of Directors is pleased to announce that the Science and Software Advisory Board has chosen the winners

MolSSI Workshop: Computational Materials Science

MolSSI Workshop: Computational Materials Science

Dates: February 2 – 3, 2017  Organizers: Teresa Head-Gordon (U.C. Berkeley and MolSSI), Steve Louie (U.C. Berkeley), and Jeff Neaton

MolSSI Workshop: Biomolecular Workflows

MolSSI Workshop: Biomolecular Workflows

Date: September 12th-13th, 2017  Organizers: Prof. T Daniel Crawford (MolSSI), Dr. Daniel G. A. Smith (MolSSI), Dr. Aaron Virshup (Autodesk),