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Pay Range
$108840 Annually
Job Description
We have an opening for an Advanced Dynamic Molecular Modeling Post Doctoral Researcher. You will apply expertise at the intersection of materials science and data science to advance accelerated simulations of dynamic processes in materials and macromolecules enabled by generative artificial intelligence. You will contribute to developing these models as well as executing and interpreting very-large scale simulations on advanced high-performance computers. This position is in the Equation of State Group of the Physics Division.
You will:
Contribute to a multidisciplinary team to advance methodologies for accurate accelerated materials and macromolecular simulations.
Contribute to evaluation of dynamical property predictions using large-scale computer simulations.
Develop analyze and/or apply probabilistic models and generative AI techniques to establish data-driven processing-structure-property relationship.
Maintain an awareness of technical literature in assigned areas.
Publish research results in external peer-reviewed scientific journals and participate in international conferences.
Present formal and informal overview of research progress at weekly meetings.
Pursue independent (but complementary) research interests and interact with a broad spectrum of scientists internally and externally.
Perform other duties as assigned.
Qualifications
PhD in Material Science Theoretical Chemistry Applied Mathematics Physics Mechanical Engineering.
Demonstrated expertise in the two or more of the following areas: interatomic potential development large-scale molecular dynamics simulations machine learning/data science methodologies computational electronic structure massively-parallel computing.
Experience in atomistic modeling of materials especially of reacting molecular systems and/or solid-state dynamic processes
Experience authoring technical and scientific reports and publications and delivering scientific presentations.
Ability to work independently on technical tasks influence technical objectives to provide in depth analysis and develop unique technical solutions.
Interpersonal skills necessary to interact with a diverse set of scientists engineers and other technical and administrative staff.
Advanced verbal and written communication skills necessary to effectively collaborate in a team environment and present and explain technical information and provide advice to management.
Qualifications We Desire
Machine learning / data science applied to materials science research and development
Experience with electronic structure-based (ab initio) atomistic modeling methods include density functional theory and/or quantum chemical methods
Experience with active learning and/or interpretability of machine learned data representations including neural networks Gaussian process models and other constructs
Experience with parallel programming tools and software development for large-scale heterogeneous computers including GPUs.
Experience with large scale (1M+ atoms) molecular dynamics simulations
Additional Information
All your information will be kept confidential according to EEO guidelines.
Position Information
This is a Postdoctoral appointment with the possibility of extension to a maximum of three years open to those who have been awarded a PhD at time of hire date.
None required.However if your assignment is longer than 179 days cumulatively within a calendar year you must go through the Personal Identity Verification process. This process includes completing an online background investigation form and receiving approval of the background check. (This process does not apply to foreign nationals.)
Pre-Employment Drug Test
External applicant(s) selected for this position must pass a post-offer pre-employment drug test. This includes testing for use of marijuana as Federal Law applies to us as a Federal Contractor.
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