Artificial (Super) Intelligence, Chemistry, and Chemical Engineering

ORAU; Aberdeen (MD); In loco; USD 65.000 - 90.000; Tempo pieno

Descrizione del lavoro

Army Research Laboratory seeks a postdoctoral researcher to design and build reactor and chemical kinetics models, and explore AI/ML methods for energetic materials under ARL-RAP. The role includes collaboration with universities and travel to meetings, with an initial one‑year appointment and potential renewal.

The fellow will develop both traditional process models and machine‑learned approaches, publish in open literature, and contribute to nonpublic technical reports.

Competenze

• Requires U.S. citizenship and ability to pass a background check.
• Ph.D. in chemical engineering, chemistry, materials engineering, mechanical engineering, materials science, computer science, or AI engineering.

Mansioni

• Design and build reactor models and chemical kinetics models.
• Develop AI/ML methods for energetic materials research.
• Collaborate with ARL and academic partners and present results.
• Contribute to publications and technical reports.

Conoscenze

Python programming

rdkit

Chemical reactor modeling

Chemical kinetics

AI/ML in Python

Git/version control

Linux shells

AI coding agents

Organic chemistry

Thermodynamics

Transport phenomena

HPC (PBS/Slurm)

Databases / Parquet/Arrow

Multiphysics/Process modeling

Cantera / ASPEN / COMSOL

Formazione

Ph.D. in chemical engineering or related fields

Strumenti

Cantera

COMSOL Multiphysics

ASPEN

Descrizione del lavoro

Organization

DEVCOM Army Research Laboratory

Reference Code

ARL-WS-20261021-F1

Description

Postdoctoral research opportunity to design and build reactor models, chemical kinetics models, process models, and also perform fundamental research in artificial intelligence or machine learning methods for energetic materials. Research involves modeling of highly exothermic chemistry in various types of reactors at operational conditions. Research will involve creation of both traditional chemical engineering models, and Bayesian models or machine‑learned models for reactors and process optimization. In addition to the reactor modeling, this fellowship offers freedom to pursue new ideas in AI/ML for energetic materials research in collaboration with a variety of institutions (including major R1 universities). Research products will include both traditional academic open literature publications and nonpublic technical reports. The postdoctoral researcher will have the opportunity to travel and give presentations at both traditional academic meetings and other nonpublic meetings.

Appointment will be Full-Time. One-year initial appointment with expectation for renewal to year two. Year three is dependent on performance and available funding.

ARL Advisor

Brian Barnes

[e-mail]

About Army Research Directorate (ARD)

ARL’s Army Research Directorate (ARD) focuses on exploiting concept development, discovery, technology development, and transition of the most promising disruptive science and technology to deliver to the Army fundamentally advantageous science-based capabilities through laboratory’s 11 research competencies. This intramural research directorate also manages the laboratory’s essential research programs, which are flagship research efforts focused on delivering defined outcomes.

About Weapon Sciences (WS)

Internal, transitional, and external ballistics; launch, flight, control, and navigation of guided weapons and aerial systems; development of novel weapon concepts.

You will be performing research with the:

• Multiscale Reactive Modeling Team
• Detonation Science and Modeling Branch
• U.S. Army Combat Capabilities Development Command Army Research Laboratory

About Army Research Laboratory Research Associateship Program (ARL-RAP)

The Army Research Laboratory Research Associateship Program (ARL-RAP) is designed to significantly increase the involvement of creative and highly trained scientists and engineers from academia and industry in scientific and technical areas of interest and relevance to the Army. Scientists and Engineers at the CCDC Army Research Laboratory (ARL) help shape and execute the Army's program for meeting the challenge of developing technologies that will support Army forces in meeting future operational needs by pursuing scientific research and technological developments in diverse fields such as: applied mathematics, atmospheric characterization, simulation and human modeling, digital/optical signal processing, nanotechnology, material science and technology, multifunctional technology, combustion processes, propulsion and flight physics, communication and networking, and computational and information sciences.

Qualifications

Security restriction: This fellowship requires a U.S. citizen able to pass a background check.

Requirements: A Ph.D. in chemical engineering, chemistry, materials engineering, mechanical engineering, materials science, computer science, or artificial intelligence engineering. If you have equivalent skills that meet the project needs, but a different degree, please consider applying.

Desired knowledge, skills, and abilities:

• Experience with Python programming, including the chemistry module “rdkit” and the scientific Python stack.
• Bachelor's or above level knowledge of chemical reactor modeling (e.g. CSTRs, PFRs, Semi-batch reactors).
• Bachelor’s or above level knowledge of chemical kinetics.
• Experience developing artificial intelligence or machine learning models in python.
• Experience with version control using git, and Linux or macOS shells (bash or zsh).
• Interest in using AI coding agents (e.g. harnessed GPT-5.4) to assist or review scientific software development.
• Bachelor’s or above level knowledge of organic chemistry and thermodynamics.
• Experience modeling transport phenomena.
• Experience with HPC queueing systems such as PBS or Slurm.
• Experience with relational databases or data tooling such as Parquet/Arrow.
• Experience in multiphysics or process modeling simulations using software such as COMSOL Multiphysics, Cantera, ASPEN, or other packages used to create digital twins for chemical engineering applications.

It is not expected that the successful applicant will possess all of the above; if you have some but not all of the skills and an interest in the fellowship, please apply or contact the POC for further information.

Point of Contact

ARL-RAP

Eligibility Requirements

• Citizenship: U.S. Citizen Only
• Degree: Master's Degree or Doctoral Degree.
• Academic Level(s): Master’s Degree 7+ years (Senior Fellow), Doctoral Degree (Postdoctoral Fellow), Doctoral Degree 5+ years (Senior Fellow), or Faculty.
• Discipline(s):
  • Chemistry and Materials Sciences
    • Analytical Chemistry
    • Bio-inorganic Chemistry
    • Bio-organic Chemistry
    • Biophysical Chemistry
    • Chemistry (General)
    • Environmental Chemistry
    • Inorganic Chemistry
    • Materials Sciences
    • Organic Chemistry
    • Physical Chemistry
    • Polymer Chemistry
    • Theoretical Chemistry
  • Communications and Graphics Design (2 )
  • Computer, Information, and Data Sciences (17 )
  • Earth and Geosciences (21 )
  • Engineering (29 )
  • Environmental and Marine Sciences (14 )
  • Life Health and Medical Sciences (51 )
  • Mathematics and Statistics (11 )
  • Physics (16 )
  • Science & Engineering-related (2 )
  • Social and Behavioral Sciences (29 )