MolSSI
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  • Fellowships
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    • 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
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    • Basis Set Exchange
    • MolSSI Integral Reference Project
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    • MolSSI Driver Interface
    • CMS Cookiecutter
  • Resources
    • Frequently Asked Questions (FAQs)
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    • MolSSI Community Code Partners
    • Job Opportunities in the Molecular Sciences
    • Requesting a Letter of Collaboration
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Archive

MolSSI is Seeking Software Scientists in Computer Science and Software Engineering

MolSSI is Seeking Software Scientists in Computer Science and Software Engineering

March 9, 2018 2374 views

The Molecular Sciences Software Institute (MolSSI) seeks candidates for multiple software scientist positions in the areas of computer science and software engineering.

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MolSSI Workshop: Computational Materials Science

MolSSI Workshop: Computational Materials Science

October 19, 2017 1714 views

The goal of this workshop was to bring together developers and domain scientists in computational materials science to discuss the “state of the art” in software efforts.

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MolSSI Workshop: Quantum Chemistry Schema

MolSSI Workshop: Quantum Chemistry Schema

October 9, 2017 2077 views

Event Start Date:November 30, 2017Event End Date:December 1, 2017Event Venue:Lawrence Berkeley National Laboratory, Berkeley, CAThe goal of this workshop is

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Call for Proposals: 2018 Molecular Science Software Workshops

Call for Proposals: 2018 Molecular Science Software Workshops

September 21, 2017 1985 views

The Molecular Sciences Software Institute (MolSSI) is pleased to announce a call for proposals for its 2018 Software Workshops.

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MolSSI is Seeking Software Scientists

MolSSI is Seeking Software Scientists

August 26, 2017 2253 views

The Molecular Sciences Software Institute (MolSSI) seeks candidates for its Software Scientist team.

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2018 Phase-I Software Fellowships

2018 Phase-I Software Fellowships

August 26, 2017 3604 views

The Molecular Sciences Software Institute (MolSSI) is pleased to announce the second Software Fellowship competition.

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MolSSI Workshop: Biomolecular Workflows

MolSSI Workshop: Biomolecular Workflows

July 26, 2017 1847 views

The Workshop will facilitate collaborative exploration and discussion of technical requirements, interoperability standards, and detailed technical specifications for biomolecular drug design workflows.

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2017 MolSSI Software Summer School

2017 MolSSI Software Summer School

July 17, 2017 2001 views

The 2017 MolSSI Software Summer School will be focus on best practices in software engineering – version control, continuous integration, data management, programming paradigms, etc., all with an emphasis on computational molecular sciences.

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Developing Community Best Practices for Molecular Simulation Software

Developing Community Best Practices for Molecular Simulation Software

May 2, 2017 2265 views

This workshop kickstarted a process to develop and publicize collaborative best practice “checklists” for a range of different molecular simulation calculations. The workshop also addressed other improve approaches to educating starting researchers, including reviews and tutorial material.

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Workshop on Excited States: Electronic Structure and Dynamics

Workshop on Excited States: Electronic Structure and Dynamics

May 2, 2017 2639 views

MolSSI sponsored this Telluride Science Center workshop, focused on developments and applications of frequency-dependent and time-dependent electronic structure theories for calculating excited states and simulating electron dynamics.

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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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