The National Renewable Energy Laboratory - NREL - is the only federal laboratory dedicated to the research, development, commercialization and deployment of renewable energy and energy efficiency technologies.
IMPORTANT:This Advertiser has requested that applicants MUST be National Residents / Valid Work Permit-holders. Other applicants need not apply.
Temporary Scientist III — Computational Biochemistry
2198BR
Golden, CO
Temporary Employee - Full Time
40
The NREL Computational Sciences Center has an immediate opening for a Computational Scientist with emphasis on Biochemistry. The candidate will lead efforts to develop efficient parallel algorithms, numerical methods and softwares in support of computational biochemistry and biophysics. Work closely with the Biomolecular Sciences Group at NREL performing algorithm and code development, biological and biomolecular modeling and simulation.
Perform project design and implementation, independent analysis of results, and make presentations at scientific conferences. Publish the results of original, innovative research in peer-reviewed journals. Specific duties include: • Perform ongoing computational modeling investigations into structure/dynamics/function relationships in cellulosic deconstruction hydrogen production in close collaboration with experimental biological scientists, with emphases on proton transfer, electron transfer, protein-protein interfacial biophysics, and protein engineering. • Design, implement, and optimize new and current algorithms on state-of-the-art HPC hardware for peta- and exa-scale computing of macromolecular systems especially with thermodynamic and kinetic capabilities. • Participate actively in the development of new capabilities in computational systems biology. • Application development and support collaborations: Lead collaborations with NREL scientific staff on the efficient implementation, performance analysis, and tuning of their complex applications and simulation codes on HPC systems, in addition to basic support including compilation, installation, maintenance, and troubleshooting for certain standard packages and those deemed of general interest to the broad NREL user community. This includes providing expert level guidance on the design, software engineering issues, and software architecture of highly sophisticated numerical simulation codes and use of supercomputers for such large-scale applications. Enable productive use of NREL high-performance computing resources by scientific staff.
Relevant PhD or equivalent relevant education/experience.
Or, relevant Master's Degree and 3 or more years of experience or equivalent relevant education/experience.
Or, relevant Bachelor's Degree and 5 or more years of experience or equivalent relevant education/experience.
Demonstrates complete understanding and wide application of scientific technical procedures, principles, theories and concepts in the field. General knowledge of other related disciplines.
Demonstrates leadership in one or more areas of team, task or project lead responsibilities. Demonstrated experience in management of projects. Very good technical writing, interpersonal and communication skills.
Ph.D. degree in physics, biophysics, biochemistry, chemistry or related area. A minimum three years of postdoctoral experience conducting research and development in molecular dynamics and associated code development for use on parallel high performance computing systems. Essential areas of experience are statistical thermodynamics theory applications; phase equilibria; coarse-grain molecular models; molecular dynamics modeling of proteins, carbohydrates, and protein-carbohydrate complex interactions; and, mixed classical-quantum molecular dynamics simulation methods.
Experience with diverse software packages for biophysical modeling (e.g., CHARMM, Amber, PMEMD, GROMACS, Gaussian, NWChem, NAMD/VMD, docking), and in-depth knowledge of and facility with high-performance scientific programming (FORTRAN, C, C++, MPI, OpenMP, GPU).
Demonstrated publications records across diverse disciplines and in high-quality journals, e.g., J. Phys. Chem., JACS, J. Comp. Chem., Journal of Biological Chemistry.
State-of-the-art knowledge of experimental techniques relevant to metalloenzymology and protein chemistry and related modeling methodologies as well as systems biology. User support experience on high performance computing systems and knowledge of scripting/programming languages and MPI.
NREL is dedicated to the principles of equal employment opportunity. NREL promotes a work environment that does not discriminate against workers or job applicants and prohibits unlawful discrimination on the basis of race, color, religion, sex, national origin, disability, age, marital status, ancestry, actual or perceived sexual orientation, or veteran status, including special disabled veterans.
NREL validates right to work using E-Verify. NREL will provide the Social Security Administration (SSA) and, if necessary, the Department of Homeland Security (DHS), with information from each new employee’s Form I-9 to confirm work authorization. For additional information, please see www.nrel.gov/employment/eeo.html.
