Postdoctoral Research Associate: Molten Salt Simulations

UT-Battelle; Oak Ridge (TN); On-site; USD 65,000 - 90,000; Full time

Job summary

UT-Battelle's Oak Ridge National Laboratory seeks a Postdoctoral Research Associate to advance computational materials research using OLCF resources. You will develop scalable simulations for molten salt materials and collaborate with experts in CCSD and external fusion efforts.

The role emphasizes ab initio quantum simulations, machine learning potentials, and statistical mechanics, with opportunities for collaboration and publication in top journals.

Qualifications

• PhD completed within the last 5 years in a relevant field.
• Experience with theoretical and computational quantum simulations (ab initio and AI-driven methods).
• Experience with statistical mechanical analysis of simulation results.
• Basic understanding of parallel programming models and software.

Responsibilities

• Collaborate with ORNL researchers to use resources of the OLCF effectively.
• Develop and port scalable materials science apps for OLCF systems.
• Apply advanced compute-intensive simulation methods to molten salt materials.
• Debug and profile high-performance applications.
• Publish results in journals and present at conferences.

Skills

Python programming

Fortran

C/C++

MPI/OpenMP

Ab initio simulations

Education

PhD in Computational Chemistry/Physics/Materials Science or related field

Tools

VASP

CP2K

Job description

UT-Battelle's Oak Ridge National Laboratory seeks a Postdoctoral Research Associate to advance computational materials research using OLCF resources. You will develop scalable simulations for molten salt materials and collaborate with experts in CCSD and external fusion efforts.

The role emphasizes ab initio quantum simulations, machine learning potentials, and statistical mechanics, with opportunities for collaboration and publication in top journals.