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Job Title:

Intern – Computational Chemistry/ Materials Science

Company: Prescience Insilico

Location: Bangalore, Karnataka

Created: 2026-01-11

Job Type: Full Time

Job Description:

About Us: At Prescience Insilico, we are at the forefront of innovation in scientific software solutions. We specialize in creating cutting-edge software tools tailored for the R&D in the Materials Science and Life Sciences for industries and academia. Our mission is to empower researchers, scientists, and institutions with the tools they need to accelerate discoveries and breakthroughs in these critical fields. We also collaborate with the materials, chemical, energy industries and pharma to accelerate the R&D through AI/ML and computational modelling and simulations.  Prescience Internship Program (PIP): Phase 1: Two months (Performance Assessment) Phase 2: Two months (Extension for outstanding candidates) Phase 3: High performance may qualify you for an additional two months. Fellowship will be provided during Internship High-performing interns will be considered for full-time roles with competitive salaries (Work from Bangalore office as required). Job Description:  The role requires an understanding of Computational Chemistry and Materials Science in the domain of complex fluids, polymers, and biomolecules. You will be working on R&D projects using cutting-edge particle-based computational methods, performing independent research, and delivering research projects to our customers. You will also be responsible for the development of PRinS3 platform and promoting the platform by giving presentations and demos to academia and industry. This role also involves working on publication-quality research work in collaboration with colleagues, customers, or others.  Required: M. Sc in Computational Chemistry, Material Science or M. Tech. in Chemical Engineering or similar fields. Experience should be in nanomaterials, polymers, biopolymers, complex fluids, surfactants, large biomolecular systems. Hands-on experience in using molecular modeling software like GROMACS, LAMMPS, Quantum Espresso etc. Excellent presentation skills and fluency in English Programming skills - Python, C/C++, Shell Scripting is highly recommended. Experience with machine learning algorithms will be a plus point. Skilled to use online platforms for presentations/Demo Skilled to install software on Workstation/HPC/Server, debug technical issues Ability to work flexible hours  Kindly share your CV with us at hr@

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