People
Board of Directors
Science & Software Advisory Board
MolSSI Software Scientists
MolSSI Associates
Fellowships
The MolSSI Software Fellowship Program
All MolSSI Software Fellows
2021-A Seed Software Fellows
2020-B and COVID-19 Seed Software Fellows
2020-B Investment Software Fellows
2020-A Seed Software Fellows
2020-A Investment Software Fellows
Workshops
2020
Open Source Software for Rare-Event Sampling Strategies
MolSSI/BioExcel Workshop on Workflows in Biomolecular Simulations
Biennial Conference on Chemical Education (BCCE)
MolSSI Driver Interface (MDI)
2019
Stochastic Approaches to Electronic Structure Calculations
Software for Advanced Potential Energy Surfaces
Summer School and Workshop on Parallel Computing in Molecular Sciences
The Open Molecular Science Cloud
Molecular Dynamics Software Interoperability
Rovibrational Molecular Spectroscopy
Machine Learning and Chemistry: Challenges on the Way Forward
A Science Gateway for Atomic and Molecular Physics
2018
Science Gateways Community Institute
NSF SSE/SSI PIs Workshop
Modular Software Infrastructure for Excited State Dynamics
Tinker Modeling Software
Python for Quantum Chemistry and Materials Simulation
Solving or Circumventing Eigenvalue Problems in Electronic Structure Theory
Summer School and Workshop Parallel Computing in Molecular Sciences
Workflows in Biomolecular Simulations
2017
Computational Materials Science
Biomolecular Simulation
Core Software Blocks in Quantum Chemistry
Interoperability
Excited States
Coding Solvation
Best Practices in Molecular Simulation
Biomolecular Workflows
Quantum Mechanics Schema
2016
Cyberinfrastructure and the Molecular Sciences
Education
MolSSI Education Resources
MolSSI Best Practices
Summer Schools
Coding Workshop @ MERCURY
News & Events
Software
Software Projects
COVID-19 Hub
MolSSI@Github
Basis Set Exchange
MolSSI Integral Reference Project
QCArchive
QCSchema
MolSSI Driver Interface
CMS Cookiecutter
Resources
Frequently Asked Questions (FAQs)
Publications from the MolSSI
Community Code Database
MolSSI Community Code Partners
Job Opportunities in the Molecular Sciences
Requesting a Letter of Collaboration
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