MolSSI Workshops at the 2022 Biennial Conference on Chemical Education (BCCE)
The Molecular Sciences Software Institute is hosting two events at the 2022 Biennial Conference on Chemical Education (BCCE). BCCE is a national meeting sponsored by the Division of Chemical Education of the American Chemical Society (ACS). The conference is designed for those who teach chemistry at all levels, and is taking place July 31 to August 4, at […]
MolSSI Workshop on HPC in Computational Chemistry and Materials Science
This fully virtual workshop will focus on parallel programming models and algorithms used in or beneficial to our community, as well as recent success stories in codes and methods development for advanced simulations in our field. One key objective of the workshop is to improve and develop the skill-sets of the next-generation of computational chemistry […]
2021 Interoperability Workshop
In 2017, the MolSSI held an Interoperability Workshop during which we asked the community to clarify current needs for interoperability among computational molecular sciences (CMS) codes. We have spent the past four years diligently working towards general solutions to these complex problems, and are excited to announce that several MolSSI interoperability projects are ready for […]
June Webinar Series – Fast Track Python Data and Scripting
MolSSI is pleased to announce that we will be holding a special June webinar series on our Python Data and Scripting Workshop. This workshop will be a “fast track” version of our April webinar. It will be held over the first two weeks of June, with classes taking place each Tuesday and Friday from 12 PM […]
May Webinar Series – Python Package Development Best Practices
MolSSI is pleased to announce that we will be holding a May webinar series on our Python Package Development Workshop. This workshop will be held over 4 weeks, with classes taking place on four Fridays in May (May 8, May 15, May 22, and May 29) from 1 PM to 4 PM EST (Eastern Standard Time […]
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 […]
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 […]