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, […]
BioExcel/MolSSI Workshop on Workflows in Biomolecular Simulations
As part of the collaborative framework, BioExcel CoE and MolSSI are organizing a series of workshops on the application of workflow solutions for biomolecular modeling and simulations. This first event will be hosted by BioExcel in Barcelona with a planned follow-up in 2019 in the US hosted by MolSSI. Background Workflows are an increasingly important aspect of biomolecular simulation science. Over […]
Best Practices in Software Development Workshop @ SERMACS
MolSSI will hold a workshop on Best Practices in Software Development workshop at the 2018 Southeastern Regional Meeting of the American Chemical Society (SERMACS). The workshop will take place from 9 AM to 4:30 PM at the Augusta Marriott on Wednesday, October 31st. These best practices include version control with git and GitHub, unit and […]