Application Scientist – Computational Chemistry/Materials Science – Prescience Insilico

Job
October 11, 2025

Job Overview

Job Description

About the job

Only apply if you are trained in Computational Chemistry/Materials Science/Computation Biology. Your application will be selected if you have carried out projects, done your PhD or have experience working in these areas.

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 Life Science and Materials Science 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 pharma, materials, chemical, and energy industries to accelerate their R&D through AI/ML and computational modeling and simulations.

Job Description

The role requires a deep 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 of the platform to academia and industry. This role also involves working on publication-quality research work in collaboration with colleagues, customers, or others.

Required:

  • M. Sc/PhD in Computational Chemistry, Material Science and similar fields
  • PhD or experience should be in polymers, 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
  • Experience with machine learning algorithms will be a plus
  • 1-2 years of experience working in industry or as a post-doc will be a plus
  • Skilled to use online platforms for presentations/Demo
  • Skilled to install software on Workstation/HPC/Server, debug technical issues
  • Ability to travel alone across India
  • Ability to work flexible hours

Kindly share your CV with us at hr@prescience.in