MolSSI
  • People
    • Board of Directors
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    • MolSSI Software Scientists
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  • 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
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    • 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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E: info@molssi.org
P: (540) 231-4457
Location: 1880 Pratt Drive, Suite 1100
Blacksburg, VA 24060

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Board of Directors

T. Daniel Crawford (Virginia Tech)
Cecilia Clementi (Rice University)
Robert Harrison (Stony Brook University)
Teresa Head-Gordon (U.C. Berkeley)
Shantenu Jha (Rutgers University)
Anna Krylov (U. Southern California)
Theresa Windus (Iowa State University)
Dominika Zgid (U. Michigan)

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NSFLogoThe MolSSI is supported by the U.S. National Science Foundation through grant number OAC-1547580.

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