MolSSI/Science Gateways Community Institute Workshop

Date: Tuesday, March 20th, 2018  Location: Chart A Room, Hilton New Orleans Riverside, 2 Poydras St, New Orleans, Louisiana Organizers: Sudhakar Pamidighantam (Indiana University), Nancy Wilkins-Diehr (University of California, San Diego), Marlon Pierce (Indiana University) The goals for this workshop were to catalyze greater usage of science gateways and advanced cyberinfrastructure by the molecular science community, to […]

MolSSI is Seeking Software Scientists in the Biophysical Domain

The Molecular Sciences Software Institute (MolSSI) located at Virginia Tech seeks candidates for multiple software scientist positions in the area of biophysical science. The successful candidates will be actively involved in an interdisciplinary team who will help develop software frameworks, interact with community code developers including Software Fellows, develop and provide software development training, collaborate […]

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 of the 2018 Phase-I Software Fellowships! Adam Abbott, University of Georgia Caitlin Bannan, University of California, Irvine Dr. M. Eric Irrgang, University of Virginia Aaron Mahler, Duke University Dr. James McClain, Cal Tech Justin Provazza, Boston […]

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 (U.C. Berkeley) Workshop The goal of this workshop was to bring together developers and domain scientists in computational materials science to discuss the “state of the art” in software efforts around four topics: Methods for […]

MolSSI Workshop: Quantum Chemistry Schema

Dates: November 30th – December 1st, 2017  Organizers: Dr. Daniel G. A. Smith (MolSSI), Dr. Bert de Jong (LBNL), Dr. Marcus Hanwell (Kitware), and Dr. Aaron Virshup (Autodesk) Location: Lawrence Berkeley National Laboratory, Berkeley, California Workshop The goal of this workshop is to produce a schema that will provide API like access to pre-existing quantum […]

Call for Proposals: 2018 Molecular Science Software Workshops

2018 MolSSI Software Workshops The Molecular Sciences Software Institute (MolSSI) is pleased to announce a call for proposals for its 2018 Software Workshops – a series of community-led events focused on software-related challenges relevant to the broad field of computational molecular sciences, including biomolecular and macromolecular simulation, quantum chemistry, and materials science. MolSSI workshops will […]

MolSSI Named an Intel Parallel Computing Center

The MolSSI is pleased to be named an Intel Parallel Computing Center, which includes a generous gift of eight Knights Landing (KNL) computing systems.  The MolSSI will use these state-of-the-art architectures to investigate optimization strategies and best practices for a range of computational molecular science community codes.

The New MolSSI Intro Video

Meet some of the MolSSI Software Scientists and Fellows, catch a glimpse of the MolSSI headquarters, and learn more about how the Institute is working to serve the computational molecular sciences community. (Thanks to Optically Active Productions!)

2018 Phase-I Software Fellowships: Deadline Extended to October 9th

Update: Fellowship application deadline extended to October 9th! The Molecular Sciences Software Institute (MolSSI) is pleased to announce the second Software Fellowship competition.  These prestigious awards will 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 Workshop: Biomolecular Workflows

Date: September 12th-13th, 2017  Organizers: Prof. T Daniel Crawford (MolSSI), Dr. Daniel G. A. Smith (MolSSI), Dr. Aaron Virshup (Autodesk), Merry Wang (Autodesk), Dr. John Chodera (MSKCC) Location: Autodesk Gallery, San Francisco, California Distributed Workflows for Biomolecular Simulations is an invite-only, innovation-driven workshop hosted by MolSSI and Autodesk Life Sciences for academic and industry experts […]