Scientific AI Intern

4 weeks ago


Bangalore Urban, India QpiAI Full time

Scientific AI Intern


Role Overview

We seek a highly motivated Scientific AI Intern to develop AI-driven scientific computing applications in the domains of drug discovery, materials discovery, and quantum computing. You will work with scientific LLMs/FMs, gen AI, RAG, multi-agent systems, machine learning, and AI automation for scientific workflows and self-driving labs. You will support the research teams as well as product development teams in the QpiAI Quantum Software division.


Key Responsibilities

  • Build agentic AI for scientific workflow automation
  • Design multi-agent AI systems for autonomous cross-domain scientific discovery
  • Develop LLM-first scientific discovery applications with gen AI interfaces
  • Implement RAG/KGs for scientific data mining with scientific prompting
  • Build with GNNs, energy-based models, and thermodynamic computing
  • Help build task/application-specific AI workflows in computational chemistry
  • Collaborate with quantum computing, AI, HPC, and computational chemistry teams
  • Tailor scientific foundation models/LLMs for drug discovery, materials discovery
  • Build systems for end-to-end self-driving labs


Qualifications

  • PhD/MS in CS, AI, ML, QC, Computational Sciences, or Physical Sciences
  • Familiarity with gen AI, agentic AI, quantum computing, scientific computing, HPC
  • Proficient in Python, C/C++, CUDA, and exposure to Julia, Rust
  • Proficient in PyTorch, DGL, JAX, Dask, MPI4py, CuPy, Ray, MLFlow
  • Exposure to HuggingFace, LangChain, LlamaIndex, OpenAI APIs, AutoGen
  • Exposure to open-source quantum computing libraries is a big plus
  • Exposure to Kubernetes, Docker, Flyte is a big plus


Benefits: Gain hands-on experience with cutting-edge AI, HPC, and quantum technologies for scientific discovery in a collaborative, growth-oriented environment. Access to professional development resources and the potential for future full-time roles.


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