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’s Response to the COVID-19 Pandemic
MolSSI COVID-19 Molecular Structure and Therapeutics Hub: MolSSI is coordinating and has built the COVID-19 Molecular Structure and Therapeutics Hub (covid.molssi.org) to gather and disseminate the molecular sciences’ community efforts on the pandemic in one location. The main goals of this Hub are to provide a single source for researchers in the Computer Aided Drug […]
MolSSI is Seeking Software Scientists in Quantum Chemistry, Biophysical Science, or Computational Materials Science
The Molecular Sciences Software Institute (MolSSI) located at Virginia Tech seeks candidates for a Software Scientist position in the areas of quantum chemistry, biophysical science, or computational materials science. The successful candidate will be actively involved in an interdisciplinary team who will help develop software frameworks (especially the MolSSI QCArchive: qcarchive.molssi.org), interact with community code […]
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 […]