MolSSI is Seeking Software Scientists in Computer Science and Software Engineering

The Molecular Sciences Software Institute (MolSSI) located at Virginia Tech seeks candidates for multiple software scientist positions in the areas of computer science and software engineering. The successful candidates will be actively involved in an interdisciplinary team who will help design and develop software frameworks that will deliver new scientific advances in molecular sciences. The candidate will also interact with community code developers including Software Fellows, provide software development training, collaborate with partners in cyberinfrastructure, form mutually productive coalitions with industry, government labs and international efforts. Candidates should have demonstrable skills in computational methods and theories in computer science and software engineering. Experience with community scientific software development is useful.

Qualified applicants must have a PhD (or, for exceptional candidates, an MSc with significant applicable experience) in computer engineering, computer science, or related area; and experience in theoretical and computational methods for computer science or software engineering.

Preferred Qualifications

  • Experience in successful software development activities
  • Experience in modern computational software development lifecycle methods
  • Experience with high performance computers and associated centers
  • Ability to meet intermediate objectives towards the accomplishment of milestones for the advancement of concurrent projects
  • Excellent publication record
  • Excellent written and oral communication skills

Duties and Responsibilities of the Software Scientist Team as a Whole

  • Develop software infrastructure and frameworks for community use and development
  • Collaborate with scientists both within and without MolSSI to address the priorities of the community and MolSSI
  • Provide expertise in design, optimization, verification, and documentation of software
  • Provide forums for standards development and resource curation to the community
  • Serve as mentors to Software Fellows by training them in software engineering best practices, API development, unit-testing, documentation, version control, performance profiling and other issues essential to community software development.
  • Interact with partners in industry, NSF supercomputing centers, national laboratories, and international facilities to identify emerging hardware trends, software priorities and future career paths
  • Lead and participate in outreach and educational activities, as well as developing instructional materials
  • Author/co-author articles for publication and presentation in scientific journals Present MolSSI activities and research at professional and project meetings
  • Ensure all relevant safety policies and procedures are followed and appropriate training is acquired and maintained
  • Personal professional development activities

Applicants must submit their applications online at and locate the posting for Staff Software Scientists (Posting SR0180031) under the Department of Chemistry. Applicants will submit a curriculum vita, a cover letter, and provide three references. The Search Committee Coordinator is available to address any specific questions related to the position: Professor Theresa Windus, Iowa State University, Department of Chemistry, 125 Spedding Hall Ames, IA 50011;

Review of applications will continue until all positions are filled.

Virginia Tech is an AA/EEO employer and applications from underrepresented groups are especially encouraged. Occasional travel for consultations and to attend professional meetings and conferences is required, and University policy requires a criminal background check.