Postdoc: Molten Salt Materials & Computation

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

Job summary

Oak Ridge National Laboratory (ORNL) in Oak Ridge, TN, seeks a Postdoctoral Research Associate to perform cutting-edge computational materials research, focusing on molten salt properties and tritium transport using ab initio quantum simulations, machine learning potentials, and statistical mechanics theories.

The role involves developing scalable materials science applications for the OLCF, profiling and debugging HPC codes, and collaborating with ORNL researchers and external fusion programs

Qualifications

• PhD in Computational Chemistry, Physics, Chemical Engineering, Materials Science and Engineering, or a related field completed within the last 5 years
• Experience in theoretical and computational quantum simulations of materials or chemical physics methods, in particular ab initio and AI-driven simulation methods
• Experience in statistical mechanical theory to analyze the simulation results
• Basic understanding of parallel application development techniques (parallel programming models, algorithms, and software)

Responsibilities

• Work closely with ORNL researchers in using the resources of the OLCF effectively and efficiently
• Develop and port scalable materials science applications and algorithms for OLCF supercomputers
• Develop and apply advanced, compute-intensive materials simulation methodologies to study the fundamental properties of molten salt materials to meet scientific objectives
• Debug and profile applications for high performance
• Conduct research and report results in journal publications, conference papers and technical manuals

Skills

Computational chemistry

Quantum simulations

Machine learning potentials

Parallel programming

Fortran

C

C++

Python

Education

PhD in Computational Chemistry/Physics/Materials Science

Tools

VASP

CP2K

MPI

OpenMP

OpenACC

Job description

Oak Ridge National Laboratory (ORNL) in Oak Ridge, TN, seeks a Postdoctoral Research Associate to perform cutting-edge computational materials research, focusing on molten salt properties and tritium transport using ab initio quantum simulations, machine learning potentials, and statistical mechanics theories.

The role involves developing scalable materials science applications for the OLCF, profiling and debugging HPC codes, and collaborating with ORNL researchers and external fusion programs