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Introduction

We are seeking a driven and innovative Postdoctoral Research Scientist with expertise in computational chemistry/biochemistry, machine learning, and scientific software development. This role offers an exciting opportunity to advance research at the intersection of machine learning, chemistry and physics, and multi-agent systems within a world-class research environment. You will lead pioneering research initiatives, design state-of-the-art workflows, and foster cross-disciplinary collaborations to address complex challenges across diverse domain. 

Your role and responsibilities
  • Design and implement machine learning algorithms to derive novel insights from multimodal datasets by leveraging advance machine learning framework like PyTorch and TensorFlow
  • Contribute to the development of foundational models and workflows for materials discovery
  • Publish high impact factor research, file patents for novel methodologies, and present findings at prestigious conferences
  • Stay at the forefront of emerging technologies and contribute to the development of cutting-edge tools and platforms
Required education
Doctorate Degree
Required technical and professional expertise
  • PhD in Computational Chemistry, Machine Learning, Computational Biology, Bioinformatics, Computer Science, or a related field
  • Proficiency in Python, SQL, and technologies like TensorFlow, PyTorch, CUDA, and Ray
  • Familiarity with high-performance computing environments, cloud platforms (AWS, Google Cloud), and DevOps tools (Docker, GitHub Actions)
  • A solid publication record demonstrating the ability to conduct and communicate impactful research 
Preferred technical and professional experience
  • Proficiency in test0driven development and continuous integration/continuous deployment (CI/CO) practices to ensure robust and scalable workflows
  • Experience in knowledge engineering, machine learning, and scientific software development
  • Familiarity with multi-agent framework (LangChain, LangGraph) and advanced RAG workflows
  • Proven success in collaborating across disciplines to deliver innovative solutions
  • Deep knowledge of computational biology, biochemstry, and/or material sciences

ABOUT BUSINESS UNIT

IBM Research is the organic growth engine of IBM and an innovation engine for our customers and partners. As part of this mission, IBM Research anticipates and examines 'What's Next in Computing' to ultimately create and integrate the technologies the world relies upon to solve big challenges and unlock new opportunities. We create and pioneer new markets for IBM, our partners and customers as exemplified in our ongoing quest to reach practical and large-scale quantum computing. Across IBM Research, we realize the power and potential to accelerate discovery with our partners and clients by combining the power of high performance computing, AI, and Quantum, all integrated through the hybrid cloud.

YOUR LIFE @ IBM

In a world where technology never stands still, we understand that, dedication to our clients success, innovation that matters, and trust and personal responsibility in all our relationships, lives in what we do as IBMers as we strive to be the catalyst that makes the world work better.

Being an IBMer means you’ll be able to learn and develop yourself and your career, you’ll be encouraged to be courageous and experiment everyday, all whilst having continuous trust and support in an environment where everyone can thrive whatever their personal or professional background.

 

Our IBMers are growth minded, always staying curious, open to feedback and learning new information and skills to constantly transform themselves and our company. They are trusted to provide on-going feedback to help other IBMers grow, as well as collaborate with colleagues keeping in mind a team focused approach to include different perspectives to drive exceptional outcomes for our customers. The courage our IBMers have to make critical decisions everyday is essential to IBM becoming the catalyst for progress, always embracing challenges with resources they have to hand, a can-do attitude and always striving for an outcome focused approach within everything that they do.

 

Are you ready to be an IBMer?

ABOUT IBM

IBM’s greatest invention is the IBMer. We believe that through the application of intelligence, reason and science, we can improve business, society and the human condition, bringing the power of an open hybrid cloud and AI strategy to life for our clients and partners around the world.

 

Restlessly reinventing since 1911, we are not only one of the largest corporate organizations in the world, we’re also one of the biggest technology and consulting employers, with many of the Fortune 50 companies relying on the IBM Cloud to run their business. 

 

At IBM, we pride ourselves on being an early adopter of artificial intelligence, quantum computing and blockchain. Now it’s time for you to join us on our journey to being a responsible technology innovator and a force for good in the world.

OTHER RELEVANT JOB DETAILS

IBM offers a competitive benefits program which may include medical & prescription drug coverage, dental, vision, mental health & well being, 8 paid holidays, minimum 56 hours paid sick time, 80 hours paid vacation, life insurance, 401(k), financial counseling, and the IBM Employee Stock Purchase Plan. IBM offers paid family medical leave and disability benefits to eligible employees where required by applicable law.
This position was posted on the date cited in the key job details section and is anticipated to remain posted for 21 days from this date or less if not needed to fill the role
We consider qualified applicants with criminal histories, consistent with applicable law.

IBM will not be providing visa sponsorship for this position now or in the future. Therefore, in order to be considered for this position, you must have the ability to work without a need for current or future visa sponsorship.

The compensation range and benefits for this position are based on a full-time schedule for a full calendar year. The salary will vary depending on your job-related skills, experience and location. Pay increment and frequency of pay will be in accordance with employment classification and applicable laws. For part time roles, your compensation and benefits will be adjusted to reflect your hours. Benefits may be pro-rated for those who start working during the calendar year.