MolSSI/BioExcel Workshop on Workflows in Biomolecular Simulations: POSTPONED TO FALL 2020
Organizers: Shentenu Jha and Sam Ellis Location: Virginia Tech Executive Briefing Center in Arlington, Virginia Dates: Expected Fall 2020 OVERVIEW The Centre of Excellence for Computational Biomolecular Research (BioExcel) and the Molecular Sciences Software Institute (MolSSI) are jointly organizing workshops on the development and application of workflow solutions for biomolecular modeling and simulations. This first event was hosted […]
MolSSI Workshop: MolSSI Driver Interface (MDI): POSTPONED TO FALL 2020 (or later)
Organizers: Taylor Barnes and Benjamin Pritchard (MolSSI) Location: MolSSI Headquarters, Blacksburg, Virginia Dates: New dates to be determined. Continue to check our website The recent release of the MolSSI Driver Interface (MDI) represents a significant step towards enabling improved interoperability among computational molecular sciences codes. To assist developers in taking advantage of MDI’s capabilities and to gather feedback […]
MolSSI Workshop: A Science Gateway for Atomic and Molecular Physics
Organizers: Alicia Palacios (Universidad Autónoma de Madrid, Spain), Jimena Gorfinkiel (Open University, UK), Samantha Fonseca dos Santos (Rollins College, USA), Barry Schneider (NIST, USA), Marianna Safronova (University of Delaware, USA) Location: National Institute of Standards and Technology (NIST), Gaithersburg, Maryland, USA Dates: 11-13 December 2019 In mid-May 2018, a group of relatively senior atomic and molecular (A&M) physicists and […]
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 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 […]
Congratulations to the 2020-A MolSSI Seed Software Fellows!
After reviewing nearly 60 impressive applications, the MolSSI is pleased to announce that the Science and Software Advisory Board has chosen the winners of the 2020-A Investment Software Fellowships! They are: Samragni Banerjee, The Ohio State University Victor H. Chavez, Purdue University Dr. Alon Grinberg Dana, Massachusetts Institute of Technology James Gayvert, Boston University Ankita […]
Congratulations to the 2020-A MolSSI Investment Software Fellows!
After reviewing nearly 60 impressive applications, the MolSSI is pleased to announce that the Science and Software Advisory Board has chosen the winners of the 2020-A Investment Software Fellowships! They are: Jennifer Clark, North Carolina State University Tucker Burgin, University of Michigan Sebastian M. Dick, Stony Brook University Heta A. Gandhi, University of Rochester Samuel […]
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 for one week to October 8. 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 […]
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 2019 Increasingly, cutting edge molecular science has come to rely on large-scale international and interdisciplinary collaboration, shared infrastructure, and large multi-user facilities such as space telescopes and massively parallel supercomputers. These efforts, in turn, lead […]
The MolSSI QCArchive Blog
The MolSSI QCArchive project is a platform to compute, organize, and share large-scale quantum chemistry data. The QCArchive team has developed many new technologies aimed to help the computational molecular sciences community and have overcome several challenges as well. To share their experience, the QCArchive team has begun blogging about the project to share technical details, […]
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 recent years, the field of machine learning (ML) has seen an incredible surge in interest. From image classifiers to board games, ML and big data and internet are making large impacts in nearly every field. […]