Job Listing ID: 4336029 Job Title: Computational Scientist 2
Application Deadline: Open Until FilledJob Location: Salem
Date Posted: 08/23/2025Hours Worked Per Week: Not Provided
Shift: Not Provided
Duration of Job: Either Full or Part Time, more than 6 months
You may contact this employer directly.
(Obtain the contact information to print or add to your jobs.)
Job Summary:
Overview
At PNNL, our core capabilities are divided among major departments that we refer to as Directorates within the Lab, focused on a specific area of scientific research or other function, with its own leadership team and dedicated budget.
Our Science & Technology directorates include National Security, Earth and Biological Sciences, Physical and Computational Sciences, and Energy and Environment. In addition, we have an Environmental Molecular Sciences Laboratory, a Department of Energy, Office of Science user facility housed on the PNNL campus.
The Physical and Computational Sciences Directorate's (PCSD's) strengths in experimental, computational, and theoretical chemistry and materials science, together with our advanced computing, applied mathematics and data science capabilities, are central to the discovery mission we embrace at PNNL. But our most important resource is our people-experts across the range of scientific disciplines who team together to take on the biggest scientific challenges of our time.?
The Advanced Computing, Mathematics, and Data Division (ACMDD) focuses on basic and applied computing research encompassing artificial intelligence,?applied mathematics, computing technologies, and data and computational engineering. Our scientists and engineers apply end-to-end co-design principles to advance future energy-efficient computing systems and design the next generation of algorithms to analyze, model, understand, and control the behavior of complex systems in science, energy, and national security.
Responsibilities
Contribute to PNNL's goals in the modeling and simulation of complex systems as part of the Laboratory's Computational Mathematics Group of the ACMDD. As a Computational Scientist, you'll join a talented, diverse team to make a scientific impact in predicting and controlling complex engineered and natural systems by developing multiscale and multiphysics models of these systems, employing advanced scientific machine learning tools to accelerate and enhance our current modeling capabilities, and deploying these models in high-performance computing environments.
Work on the development of hybrid machine learning force fields for applications in chemical physics problems.
Establish new capabilities in developing physics-based computational tools able to be combined with machine learning methods to model complex chemical systems with quantitative accuracy in comparison to quantum chemistry calculations.
Apply advanced scientific computing and machine learning methods to enhance our understanding of complex chemical systems by writing software that enables and assists in the development of hybrid physics/machine learning interaction potentials.
Develop and optimize workflows for large-scale quantum chemistry simulations and related scientific workflows.
Interact, communicate, and solve problems with a diverse team of applied mathematics, computational science, and experimental research staff within the ACMDD group and across PNNL.
Publish your results in high-quality, peer-reviewed journals.
Present your research at technical conferences and project and program review meetings.
Participate in the development of research proposals.
Qualifications
Minimum Qualifications:
BS/BA and 2 years of relevant experience -OR-
MS/MA -OR-
PhD
Preferred Qualifications:
Computational science and/or applied mathematics background with emphasis on being able to combine physics-based computational tools with machine learning methods to model complex chemical systems.
Hazardous Working Conditions/Environment
Not Applicable
Additional Information
No...
Job Classification: Computer and Information Research Scientists
Access our statewide or regional occupation report for more information about wages,
employment outlooks, skills, training programs, related occupations, and more.
Compensation
Salary: Not Provided
Job Requirements
Experience Required: See Job Summary
Education Required: NoneMinimum Age: N/A
Gender: N/A
Application Deadline: Open Until FilledJob Location: Salem
Date Posted: 08/23/2025Hours Worked Per Week: Not Provided
Shift: Not Provided
Duration of Job: Either Full or Part Time, more than 6 months
You may contact this employer directly.
(Obtain the contact information to print or add to your jobs.)
Job Summary:
Overview
At PNNL, our core capabilities are divided among major departments that we refer to as Directorates within the Lab, focused on a specific area of scientific research or other function, with its own leadership team and dedicated budget.
Our Science & Technology directorates include National Security, Earth and Biological Sciences, Physical and Computational Sciences, and Energy and Environment. In addition, we have an Environmental Molecular Sciences Laboratory, a Department of Energy, Office of Science user facility housed on the PNNL campus.
The Physical and Computational Sciences Directorate's (PCSD's) strengths in experimental, computational, and theoretical chemistry and materials science, together with our advanced computing, applied mathematics and data science capabilities, are central to the discovery mission we embrace at PNNL. But our most important resource is our people-experts across the range of scientific disciplines who team together to take on the biggest scientific challenges of our time.?
The Advanced Computing, Mathematics, and Data Division (ACMDD) focuses on basic and applied computing research encompassing artificial intelligence,?applied mathematics, computing technologies, and data and computational engineering. Our scientists and engineers apply end-to-end co-design principles to advance future energy-efficient computing systems and design the next generation of algorithms to analyze, model, understand, and control the behavior of complex systems in science, energy, and national security.
Responsibilities
Contribute to PNNL's goals in the modeling and simulation of complex systems as part of the Laboratory's Computational Mathematics Group of the ACMDD. As a Computational Scientist, you'll join a talented, diverse team to make a scientific impact in predicting and controlling complex engineered and natural systems by developing multiscale and multiphysics models of these systems, employing advanced scientific machine learning tools to accelerate and enhance our current modeling capabilities, and deploying these models in high-performance computing environments.
Work on the development of hybrid machine learning force fields for applications in chemical physics problems.
Establish new capabilities in developing physics-based computational tools able to be combined with machine learning methods to model complex chemical systems with quantitative accuracy in comparison to quantum chemistry calculations.
Apply advanced scientific computing and machine learning methods to enhance our understanding of complex chemical systems by writing software that enables and assists in the development of hybrid physics/machine learning interaction potentials.
Develop and optimize workflows for large-scale quantum chemistry simulations and related scientific workflows.
Interact, communicate, and solve problems with a diverse team of applied mathematics, computational science, and experimental research staff within the ACMDD group and across PNNL.
Publish your results in high-quality, peer-reviewed journals.
Present your research at technical conferences and project and program review meetings.
Participate in the development of research proposals.
Qualifications
Minimum Qualifications:
BS/BA and 2 years of relevant experience -OR-
MS/MA -OR-
PhD
Preferred Qualifications:
Computational science and/or applied mathematics background with emphasis on being able to combine physics-based computational tools with machine learning methods to model complex chemical systems.
Hazardous Working Conditions/Environment
Not Applicable
Additional Information
No...
Job Classification: Computer and Information Research Scientists
Access our statewide or regional occupation report for more information about wages,
employment outlooks, skills, training programs, related occupations, and more.
Compensation
Salary: Not Provided
Job Requirements
Experience Required: See Job Summary
Education Required: NoneMinimum Age: N/A
Gender: N/A
Job ID: 490585599
Originally Posted on: 8/24/2025
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