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Postdoctoral Research Associate in Multiscale Molecular Simulations / NB50645164
Oak Ridge National Laboratory
Oak Ridge National Laboratory

Job Location: Oak Ridge, TN

The Biomedical Science, Engineering, and Computing (BSEC) Group in the Computational Science and Engineering Division (CSED) at the Oak Ridge National Laboratory (ORNL) is accepting applications for a postdoctoral research position in multiscale molecular simulations.Our group is committed to conducting research in computational, data, and engineering sciences in the context of biomedical, clinical, and public health disciplines and applying this knowledge to support the nations leading health initiatives.This position will provide a unique opportunity to explore theoretical and practical foundations for data-driven acceleration of Exascale simulations as well as explore novel data-driven frameworks to accelerate simulations by interleaving simulations with analytics approaches.

Major Duties/Responsibilities:
The qualified candidate will be responsible for: Researching and applying structured probabilistic models (SPM) and Bayesian inference to summarize simulations online and simultaneously building a long-term propagation and estimation framework. Developing statistical inference tools to integrate molecular observations with simulations. Collaborating with BSEC/CSED scientists in a wide variety of data analytics and architecture research. Authoring peer reviewed papers, technical papers, reports and proposals for internal and external release and representing the organization by giving technical presentations in large public forums. Being a part of a vibrant collaborative research environment which will provide the opportunity to perform cutting-edge research in high-performance computing, using ORNLs Leadership Class Supercomputer. Conducting research and reporting results in open literature journals, technical reports, and at relevant conferences.

Qualifications Required:
Basic Qualifications: Ph.D. in Computational Science (Biology, Physics, Statistics) or related field is required. Demonstrated research experience in deep learning for molecular simulations.Preferred Qualifications: Familiarity with Python and/or any object oriented programming language such as C++/Java. Ability to work and quickly prototype tools using MATLAB would be advantageous. Solid theoretical foundation, algorithmic skills, and hands-on experience with deep learning and graph analytics. Thorough understanding of optimization and scalability of machine learning algorithms. Experience with parallel and distributed computing architecture including MPI, CUDA, and OpenCL. Experience with various deep learning libraries such as Keras/Tensorflow. Well-rounded data science experience with large, heterogeneous, and/or real-time datasets as well as open source big data technologies such as Hadoop, Spark etc.Applicants cannot have received their Ph.D. more than five years prior to the date of application and must complete all degree requirements before starting their appointment. The appointment length will be for up to 24 months with the potential for extension. Initial appointments and extensions are subject to performance and the availability of funding.UT-Battelle is recognized by our employees and the community as an inclusive environment where diversity is valued and individuals and teams are inspired to contribute fully to the organization's success. ORNL is an equal opportunity employer. All qualified applicants, including individuals with disabilities and protected veterans, are encouraged to apply.

Oak Ridge National Laboratory

ORNL is an equal opportunity employer. All qualified applicants, including individuals with disabilities and protected veterans, are encouraged to apply. UT-Battelle is an E-verify Employer.
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