Molecular Dynamics Intern - Non-CMU Student - Pittsburgh Supercomputing Center

Pittsburgh Supercomputing Center is a joint computational research center with Carnegie Mellon University and the University of Pittsburgh. Established in 1986, PSC is supported by several federal agencies, the Commonwealth of Pennsylvania and private industry.

PSC provides university, government and industrial researchers with access to several of the most powerful systems for high-performance computing, communications and data storage available to scientists and engineers nationwide for unclassified research. PSC advances the state of the art in high-performance computing, communications and data analytics and offers a flexible environment for solving the largest and most challenging problems in computational science.

Molecular dynamics simulations are very popular on PSC’s flagship supercomputer, Bridges-2. However, the corresponding software engines are very complex, and there are many parameters that a researcher can adjust to tune a simulation’s performance. If a researcher does not have experience running similar simulations on a similar supercomputer, it is very difficult to evaluate whether the observed performance is reasonable. The primary objective of the Molecular Dynamics internship is to document reasonable performance metrics for a variety of chemical systems under several different simulation engines.

Your core responsibilities will include:

• Learning to prepare and preparing model systems for molecular dynamics simulation
• Learning to use and using the GROMACS, NAMD, Amber, and/or LAMMPS molecular dynamics engines on a high performance computing resource
• Optimizing molecular dynamics simulation performance on Bridges-2
• Visualizing molecular dynamics simulations using VMD
• Collecting and organizing simulation performance data
• Documenting simulation performance in a manner appropriate for publishing on the PSC website
• Automate simulation performance testing for use with system monitoring frameworks

Our internships offer the opportunity to:

• Gain valuable experience and knowledge in research computing
• Network with leaders in academia and industry to form valuable relationships
• Publish in peer-reviewed journals and at prominent conferences
• Develop core Linux/Unix skills which are applicable across many IT fields

Flexibility, excellence, and passion are vital qualities within PSC. Inclusion, collaboration and cultural sensitivity are valued competencies at CMU. Therefore, we are in search of a team member who is able to effectively interact with a varied population of internal and external partners at a high level of integrity. We are looking for someone who shares our values and who will support the mission of the university through their work.

You should demonstrate:

• Familiarity with Bash and the Linux/Unix command line
• Familiarity with compiling and installing open source software on Linux/Unix operating systems
• Experience with the Git version control system
• Strong ability to learn independently by studying software documentation
• Excellent communication skills and ability to work in a team environment.
• Excellent problem-solving skills and creativity.

Qualifications:

• Candidates must be pursuing an undergraduate (bachelor’s) degree. Examples of relevant majors are computer science, statistics, or any major with a significant computational component

Are you interested in this exciting opportunity?! Apply today!

Location

Pittsburgh, PA

Job Function

Non-CMU Students

Position Type

Staff – Fixed Term (Fixed Term)

Full Time/Part time

Part time

Pay Basis

Hourly

More Information: 

• Please visit “Why Carnegie Mellon ” to learn more about becoming part of an institution inspiring innovations that change the world. 

• Click here to view a listing of employee benefits

• Carnegie Mellon University is an Equal Opportunity Employer/Disability/Veteran. 

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