MolSSI
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  • Workshops
    • MolSSI Workshops: Full Listing
    • 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
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    • Coding Workshop @ MERCURY
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Archive

Best Practices Workshop at The University of Florida

Best Practices Workshop at The University of Florida

March 4, 2019 1570 views

Event Start Date:April 5, 2019Event End Date:April 5, 2019Event Venue:MolSSI will hold a Best Practices Workshop at The University of

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Enabling Quantum Leap: Workshop on quantum algorithms for quantum chemistry and materials

Enabling Quantum Leap: Workshop on quantum algorithms for quantum chemistry and materials

December 12, 2018 1945 views

A workshop to explore mechanisms to advance the science, collaboration, education, funding, and broad impacts of quantum computing as applied to quantum simulation.

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BioExcel/MolSSI Workshop on Workflows in Biomolecular Simulations

BioExcel/MolSSI Workshop on Workflows in Biomolecular Simulations

October 29, 2018 1463 views

BioExcel CoE and MolSSI are organizing a series of workshops on the application of workflow solutions for biomolecular modeling and simulations.

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Best Practices in Software Development Workshop @ SERMACS

Best Practices in Software Development Workshop @ SERMACS

October 4, 2018 1594 views

MolSSI will hold a workshop on Best Practices in Software Development workshop at the 2018  Southeastern Regional Meeting of the American Chemical Society (SERMACS).

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MolSSI Software Fellow Webinar: Molecular simulation control and extension with gmxapi for GROMACS

MolSSI Software Fellow Webinar: Molecular simulation control and extension with gmxapi for GROMACS

September 16, 2018 1172 views

A webinar by MolSSI Software Fellow Dr. Eric Irrgang on the gmxapi framework for molecular simulation.

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School on Stochastic Approaches to Electronic Structure Calculations

School on Stochastic Approaches to Electronic Structure Calculations

September 16, 2018 4416 views

A school targeted for graduate students doing research in electronic theory as well as postdoctoral fellows and faculty at undergraduate institutions interested in learning about stochastic electronic structure methods.

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MDAnalysis Workshop and Hackathon

MDAnalysis Workshop and Hackathon

August 27, 2018 2141 views

MDAnalysis are hosting a NumFOCUS sponsored 2 day workshop and hackathon aimed at introducing researchers to MDAnalysis.

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BioExcel-MolSSI Symposium at PASC 2018

BioExcel-MolSSI Symposium at PASC 2018

June 27, 2018 1021 views

Advances in Automation and Efficiency for the Exascale Era – Experiences from the Biomolecular Science

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MolSSI Workshop for SSE/SSI PIs

MolSSI Workshop for SSE/SSI PIs

May 7, 2018 1117 views

A workshop focused on PIs of current SSE/SSI projects that are relevant to the computational molecular sciences.

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CMS Novice Bootcamp at Research Triangle Park

CMS Novice Bootcamp at Research Triangle Park

May 1, 2018 2849 views

Event Start Date:July 9, 2018Event End Date:July 10, 2018Event Venue:Research Triangle ParkMolSSI will hold the inaugural Computational Molecular Sciences Novice

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Upcoming Events

  • 2021 MolSSI Interoperability Workshop at ONLINE

    Event Start Date:June 14, 2021Event End Date:June 16, 2021Event Venue:ONLINEIn 2017, the MolSSI held an Interoperability Workshop during which we asked the community to clarify current needs for interoperability among

    June 14, 2021 – June 16, 2021
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Contact Us

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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