MolSSI Sustainable Software Symposium at Spring 2019 ACS Meeting

MolSSI is pleased to host the symposium “Sustainable Software for Computational Molecular Science” at the Spring 2019 ACS Meeting in Orlando from March 31-April 4, 2019. This program brings together leading researchers and software developers from academia and industry in the computational molecular sciences for a 5 day, 9 session meeting. Symposium DescriptionThe field of […]

2019 MolSSI Software Summer School

Applications for the 2019 MolSSI Software Summer School are now open! The 2019 MolSSI Software Summer School will be held at the Texas Advanced Computing Center (TACC) in Austin, Texas from July 22-31, 2019. The School will focus on early career graduate students in the computational molecular sciences (bio- and macro-molecular simulation, quantum chemistry, and materials science) […]

MolSSI Announces the New Basis Set Exchange

The MolSSI and the Environmental Molecular Sciences Laboratory (EMSL) are proud to announce a beta release of a new Basis Set Exchange (BSE – https://www.basissetexchange.org/).  This collaborative effort is an update of the original Basis Set Exchange with new features and updated/revised data.  The goal of this project is to create a consistent, thoroughly-curated database of […]

New 2019 Software Fellowship Competition Now Open!

The Molecular Sciences Software Institute (MolSSI) is pleased to announce the latest Software Fellowship competition.  These prestigious fellowships 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 macromolecular simulation, quantum chemistry, and materials science. Fellows will […]

Creating the Conditions for Scientific Progress

The MolSSI recently announced its 2019 Seed Software Fellows, a program that provides support and mentoring to selected Ph.D. students and postdocs. Our work with these bright young scientists is, in large part, to help them develop software skills and knowledge that can assist them in completing their research and furthering their individual careers. While the […]

Call for Proposals: 2020 Molecular Science Software Workshops

2020 MolSSI Software Workshops The Molecular Sciences Software Institute (MolSSI) is pleased to announce a call for proposals for its 2020 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 typically last […]

Enabling Quantum Leap: Workshop on quantum algorithms for quantum chemistry and materials

Dates: 22-24 January 2019Location: Hilton Embassy Suites in Old Town Alexandria, 1900 Diagonal Rd, Alexandria, Virginia As we begin to reach the limits of classical computers in terms of circuit size, quantum computing has emerged as a technology that has captured the imagination of the scientific world and the public as a potentially revolutionary computational advance. The […]

Congratulations to the First 2019 MolSSI Seed Software Fellows!

After reviewing nearly 40 impressive applications, the MolSSI is pleased to announce that the Science and Software Advisory Board has chosen the winners of the first round of Seed Software Fellowships for 2019! They are: Tucker Burgin, U. Michigan Sebastian Dick, Stony Brook U. Dr. Alex Holehouse, Washington U. in St. Louis Monika Kodrycka, Auburn […]

Better Together: The MolSSI PIs

The MolSSI started off as an idea—a vision for the future of the computational molecular sciences community, whose advancement is spurred by accessible and sustainable code. And, like most big ideas, it takes more than one person to bring it to fruition. The MolSSI is fortunate to have a team of incredible PIs working to elevate the […]

The Molecular Software Sciences Institute Launches New Open Force Field Consortium

Academic-industry collaboration designed to improve computer models used to guide pharmaceutical drug discovery BLACKSBURG, Virginia, November 13, 2018 // — Today, the Molecular Software Sciences Institute (“The MolSSI”) announced the launch of The Open Force Field Consortium (“OpenFF Consortium”), an academic-industry collaboration designed to improve computer models used to guide pharmaceutical drug discovery. This effort, […]