STEM Expert – Chemistry & Computational Chemistry (PhD)

Micro1; India; Remote; INR 8,451,000 - 14,085,000; Full time

Job summary

Cashback24x7 is seeking a STEM Expert - Chemistry & Computational Chemistry (PhD) for a remote, worldwide engagement. You will train AI systems by designing and evaluating chemistry problems, workflows, and reasoning chains to support benchmarking.

You will provide expert insights on reaction mechanisms, molecular simulations, and AI-driven chemistry tools; optimize protocols and configurations for accuracy; document findings and communicate clearly to technical and non-technical partners.

Qualifications

• PhD in chemistry or closely related field.
• Hands-on research lab experience or simulation-focused research.
• Deep expertise in at least one listed area.
• Professional written and spoken English (C1+).
• Proficiency in Python and industry-standard tools.

Responsibilities

• Design, evaluate, and critique chemistry and computational chemistry problems for AI benchmarking.
• Provide expert insights on reaction mechanisms, synthesis planning, spectroscopy, and molecular simulations.
• Assess and optimize experimental protocols and software configurations for accuracy and reproducibility.
• Analyze chemical, spectroscopic, and simulation data and provide actionable recommendations.
• Guide development and validation of chemistry-related AI models and tools.
• Communicate complex concepts clearly to technical and non-technical collaborators.
• Document findings and best practices to enable knowledge transfer.

Skills

PhD in Chemistry

Lab experience

Python proficiency

Analytical reasoning

Scientific communication

Organic synthesis

Computational chemistry

Spectroscopy

Education

PhD in Chemistry

Tools

Gaussian

ORCA

Psi4

GROMACS

LAMMPS

RDKit

Job description

Role Title

STEM Expert - Chemistry & Computational Chemistry (PhD)

Role Type

Contractor

Location

Remote (Worldwide)

Job Summary

In this role, you’ll apply your expertise to help train next-generation AI systems. Your work will shape how models learn, reason, and perform through high-quality, real-world input.

Key Responsibilities

• Design, evaluate, and critique chemistry and computational chemistry problems, workflows, and reasoning chains to support AI benchmarking initiatives.
• Provide expert-level insights on reaction mechanisms, synthesis planning, spectroscopy analysis, molecular simulations, and electronic structure methods.
• Assess and optimize experimental protocols, simulation parameters, and software configurations for accuracy and reproducibility.
• Analyze chemical, spectroscopic, and simulation data and provide actionable recommendations.
• Leverage domain knowledge to guide the development and validation of chemistry-related AI models and tools.
• Communicate complex scientific concepts clearly, both in writing and verbally, to technical and non-technical collaborators.
• Document findings, methodologies, and best practices to ensure knowledge transfer across the customer’s team.

Areas of Expertise (we welcome applicants from any of the following)

• Organic synthesis & reaction mechanisms
• Inorganic & organometallic chemistry
• Physical & theoretical chemistry
• Analytical chemistry & spectroscopy
• Computational chemistry & molecular dynamics
• Cheminformatics & drug discovery
• Materials science & polymer chemistry

Required Skills and Qualifications

• PhD in chemistry, computational chemistry, chemical biology, materials science, or a closely related field.
• Hands-on research lab experience, including wet lab experience for experimental subfields, or extensive simulation-heavy research for computational subfields.
• Deep expertise in at least one of the areas listed above.
• Professional written and spoken English (C1 or higher).
• Proficiency in Python and/or industry-standard tools in your subfield (e.g., Gaussian, ORCA, Psi4, GROMACS, LAMMPS, RDKit).
• Excellent quantitative, analytical, and scientific reasoning skills.
• Outstanding written and verbal communication abilities, with the ability to clearly document and explain technical concepts.
• Track record of rigorous scientific problem-solving in complex chemistry domains.

Preferred Qualifications

• Academic experience (postdoc, research scientist, faculty, or equivalent), strongly preferred.
• Peer-reviewed publications, patents, or contributions to open-source scientific software.
• Experience with AI/ML-assisted chemistry workflows or benchmarking.
• Background in drug discovery, reaction prediction, or retrosynthesis.