Agentic AI Scientist

AstraZeneca; Gaithersburg (MD); On-site; USD 145,000 - 217,000; Full time

Job summary

AstraZeneca in Gaithersburg, MD, United States, is seeking an experienced Agentic AI Scientist to advance HITL multi-agent systems and GenAI applications within Pharmaceutical Technology and Development. The role focuses on transforming drug development through advanced data science and AI, collaborating across global teams.

You will design and implement autonomous decision-making algorithms, evaluate agent performance, and contribute to AI strategy.

Qualifications

• Master in Science in computer science, data science, AI, ML or related field.
• 3+ years of deep learning and ML experience in industry.
• Strong coding skills in Python and R.
• Experience designing multi-agent patterns, digital twins and agentic AI.

Responsibilities

• Drive innovation in agentic AI and multi-agent systems for drug development.
• Design, implement, and optimize autonomous decision-making among agents and digital twins.
• Evaluate agent performance in decision making, collaboration, and uncertainty.
• Collaborate with IT engineering teams for deployment of AI solutions.
• Publish findings and represent AstraZeneca at scientific forums.

Skills

Deep Learning

Machine Learning

Python

R

Reinforcement Learning

Multi-agent systems

GenAI design patterns

Digital twins

Education

Master in Science computer science

Tools

TensorFlow

PyTorch

LangGraph

CrewAI

OpenAI Gym

Ray RLlib

Stable Baselines

Job description

Are you a driven Data Scientist with a robust foundation in traditional data science methods and a passion for Agentic AI, and human-in-the-loop (HITL) multi-agent systems? If so, an exciting opportunity awaits you at AstraZeneca!

We are looking for Agentic AI Scientist eager to utilize their expertise in these advanced technologies to revolutionize our drug development processes. In the Pharmaceutical Technology and Development (PT&D) department, you will be a key player in transforming molecules into groundbreaking medical treatments. PT&D leads the charge in developing cutting-edge synthetic routes, drug formulations and delivery technologies, ensuring our products are effective, safe, and of the highest quality.

Your role involves contributing data science expertise into cross functional global pharmaceutical development projects in support of transforming the way we deliver medicines to patients. You'll play a pivotal role in shaping our AI strategy and driving the co-development of sophisticated HITL multi-agent systems.

We are hiring two candidates for this position, and the roles will be based at our dynamic site in Gaithersburg (USA).

Work Modality: Hybrid (3 days office and 2 remote)

Accountabilities:

• Drive innovation in agentic AI, multi-agent systems, and digital twins, exploring new methodologies and applications.
• Design, implement, and optimize algorithms for autonomous decision-making, coordination, and policy learning among agents and digital twins using techniques like Markov Decision Processes (MDPs), Partially Observable MDPs (POMDPs), and multi-agent reinforcement learning (MARL).
• Evaluate agent performance in the context of decision making, collaboration, competition, uncertainty.
• Collaborate with cross-functional teams ensuring knowledge transfer to IT engineering teams for IT solution builds and deployment.
• Keep pace with industry advancements by reviewing academic papers and attending conferences. Publish findings in peer-reviewed journals and represent the company at scientific forums.
• Communicate technical concepts and results to technical and non-technical audiences.

Essential skills/Experience:

• Master in Science computer science, data science, artificial intelligence, machine learning or related fields.
• At least 3 years of experience in Deep Learning and ML
• Excellent coding skills in languages such as Python, R.
• Hands-on industrial experience designing multi-agent patterns, digital twins and experience with agentic AI design patterns, reinforcement learning.
• Extensive industrial experience with AI and ML frameworks like TensorFlow, PyTorch,
• Hands-on experience with GenAI orchestration frameworks such as LangGraph, CrewAI
• Hands-on experience with reinforcement learning libraries such as OpenAI Gym, Ray RLlib, or Stable Baselines.
• Hands-on industrial experience with applied machine learning domains such as deep learning, NLP, GenAI.

Desirable skills/experience:

• Contributions to open-source projects. If you meet these criteria, please highlight merged GitHub PRs in your application.
• Strong publication record in the field of AI.
• Experience designing multi-agent systems in the pharmaceutical sector.
• Experience delivering machine learning projects with applications in pharmaceutical development, chemical engineering or chemistry.
• Experience with one or more of the following applied machine learning domains such as transfer learning, federated learning, few/zero shot learning, meta learning, explainable AI.
• PhD in computer science, data science, artificial intelligence, machine learning or related fields.

When we put unexpected teams in the same room, we unleash bold thinking with the power to inspire life-changing medicines. In-person working gives us the platform we need to connect, work at pace and challenge perceptions. That's why we work, on average, a minimum of three days per week from the office. But that doesn't mean we're not flexible. We balance the expectation of being in the office while respecting individual flexibility. Join us in our unique and ambitious world.

AstraZeneca is a place where change is embraced, and new solutions are trialed with patients and business in mind. Here, technology is a key lever for delivering medicines quickly, affordably, and sustainably. Our diverse workforce is united by curiosity, sharing learnings to scale fast. Be part of a digitally-enabled environment that impacts all parts of the business—from robotic process automation to machine learning for quality batches—while contributing to society and the planet.

The annual base pay (or hourly rate of compensation) for this position ranges from $144,648.80 - 216,973.20 USD Annual. Our positions offer eligibility for various incentives—an opportunity to receive short-term incentive bonuses, equity-based awards for salaried roles and commissions for sales roles. Benefits offered include qualified retirement programs, paid time off (i.e., vacation, holiday, and leaves), as well as health, dental, and vision coverage in accordance with the terms of the applicable plans.

Date Posted 17-sept-2026

Closing Date 22-sept-2026

Our mission is to build an inclusive environment where equal employment opportunities are available to all applicants and employees. In furtherance of that mission, we welcome and consider applications from all qualified candidates, regardless of their protected characteristics. If you have a disability or special need that requires accommodation, please complete the corresponding section in the application form.