Computational Chemistry Intern

What if the next material breakthrough came from your laptop?

At Without, we’re turning unrecyclable plastic into premium materials and building the tech to make that transformation faster, cheaper, and cleaner.

We’ve proven it can be done in the lab. Now we’re exploring how AI, automation, and computational chemistry can help us scale that magic.

We’re looking for a Computational Chemistry Intern who’s curious, self-driven, and excited to work at the intersection of materials, sustainability, and machine learning.

This isn’t a padded internship with a tidy syllabus. You’ll be testing code, running simulations, and helping crack real-world plastic problems.

If you believe the future of sustainability will be built with science and systems, not slogans, we should talk.

What We Are Looking For:

• Curious Generalist:

   You’re a student (BSc, BTech, MSc or an active PhD student) who wants to use tech to solve material problems. Your background doesn’t matter as much as your mindset.

• Foundations in Chemistry:

   You know your way around molecules, polymers, and basic materials science. Maybe you’ve studied it, maybe you’ve picked it up yourself, but it interests you.

• Code-Literate:

   Comfortable with basic Python and willing to go deeper. Bonus if you’ve explored tools like PySCF, RDKit, or any molecular modelling frameworks.

• AI/Tech-Forward:

   You’re interested in how AI can help discover, predict, or simulate chemical behaviour. You don’t need to be an ML engineer, but you’re excited to learn.

• Self-Starter:

   You’re independent, resourceful, and okay figuring things out in ambiguity. We’re still building the playbook, and you’ll help write it.

• Mission-Aligned:

   You care about waste, science, and designing better systems. You want your work to do more than just look good on paper.

• Open to Lab Work:

   While the role is primarily computational, you’re comfortable getting your hands dirty in the lab when needed, especially to validate or complement in-silico results

• Location:

   Preference is to have someone here in Pune, MH in-person, but open to considering a remote role as well.

What You'll Do:

• Help maintain and build on the computational chemistry foundation we’ve already started, this isn’t from scratch, but we need you to help push it over the line
• Run and refine proprietary simulations to optimise our research.
• Use Python to test, modify, and analyse code outputs from molecular modelling tools.
• Organise and expand a database of polymer structures, properties, and reaction data.
• Research relevant open-source packages and AI-driven tools to improve prediction and optimisation.
• Collaborate with our science team to connect your work to real-world material development.
• Document all findings, code, and learnings in a clean, usable format to support future scale
• If you’re working on a thesis or project, we’re happy to shape this internship to support your academic goals too.
• Support occasional wet-lab work to validate or complement computational findings, especially chemomechanical tests and material behaviour studies.

Your Compensation:

• A monthly stipend of 

  INR 15,000

   for the internship duration (typically 3–6 months).
• You’ll gain real exposure to how deep tech, chemistry, and sustainability intersect in a fast-moving, impact-driven startup. You’ll work closely with Without’s founder and advisors, with mentorship, autonomy, and the potential to convert into a longer-term role.
• There is also potential to contribute to original research and help build intellectual property: your work won’t just sit in a folder; it could help shape the future of sustainable materials.
• This internship isn’t for someone looking to tick a box. It’s for someone looking to help build something that matters.