April Webinar Series – Python Data and Scripting Course

The April Python Data and Scripting Course is full. Please continue to watch our website and Twitter for future webinar series. MolSSI is pleased to announce that we will be holding an April webinar series on our Python Data and Scripting Workshop. This workshop will be held over 4 weeks, with classes taking place each Friday in April […]

Call for Manuscript Submissions: Physical Chemistry Chemical Physics (PCCP) on Quantum Computing and Quantum Information Storage

The guest-editors of PCCP (John Doyle, Anna Krylov, and Kang-Kuen Ni) are excited to announce an upcoming themed collection in Physical Chemistry Chemical Physics (PCCP) on Quantum Computing and Quantum Information Storage.  Quantum computing and information storage promise to revolutionize our information technology. Some basic theory of quantum computing has been established over the past two decades and researchers are on the […]

Second 2020 MolSSI Software Fellowship Competition: Deadline Extended to April 6th

We have two important announcements regarding the open MolSSI Software Fellowship Competition: We will set aside a special pool of Seed Fellowship applications that focus on software development, data science, workflows, and machine learning challenges that are especially relevant to the on-going COVID-19 pandemic.  (If you have already submitted your application and wished to be considered in this […]

MolSSI School on Open Source Software for Rare-Event Sampling Strategies: POSTPONED TO 2022

Organized by Prof. Lillian Chong (U. of Pittsburgh) and Daniel Zuckerman (Oregon Health & Science U.), this two-day school will present both lectures and tutorials on open-source software for simulating rare events (e.g., protein folding, protein binding, chemical reactions) and related tasks. The school will feature a variety of topics and packages that are contributing […]

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 […]