AI Evaluation Data Scientist Internship in Pure & Applied Mathematics (Work From Home)

Internship Overview

This internship offers an opportunity to contribute to cutting-edge AI model evaluations by designing advanced, text-based doctoral-level assessments in quantum chemistry, advanced organic chemistry, and thermodynamic reaction systems. The role involves constructing evaluations that probe deep theoretical mastery, leveraging ab initio methods, density functional theory, molecular orbital theory, stereoelectronic influences, as well as kinetic and equilibrium coupling.

Key Responsibilities

• Compose rigorous, text-centric assessments at a doctoral level across multiple complex chemical disciplines.
• Develop materials testing theoretical frameworks like density functional theory and molecular orbital interactions, devoid of graphics and relying solely on prose and symbolic notation.
• Formulate questions requiring derivations, mechanism-based reasoning, and quantitative evaluation.
• Translate detailed chemical insights into formalized logic strings using IUPAC-compliant textual notations including SMILES, InChI, reaction SMARTS, and mathematical language.
• Represent chemical reactions, stereochemistry, electron flow, and energy dynamics in machine-readable formats.
• Create validation systems ensuring chemical equations comply with automated verification protocols.
• Define constraints and verify atom balance, charge neutrality, thermodynamic validity, and kinetic consistency across models.
• Ensure all chemical expressions conform to canonical textual formats to facilitate automated checks for mass, energy, and mechanisms.
• Develop robust error-handling for invalid valence configurations, hypothetical intermediates, and inconsistent energetic values.

Candidate Requirements

• PhD candidates, postdoctoral fellows, or elite M.Sc graduates from premier research institutions such as IITs, IISc, and IISERs.
• Exceptional knowledge in quantum chemistry, thermodynamics, and advanced organic chemistry.
• Expertise in interpreting and using IUPAC nomenclature and textual chemical representation standards like SMILES and InChI.
• Strong analytical, scientific writing, and problem-solving abilities.
• Prior experience in preparing academic assessments or research content is advantageous.
• Meticulousness and an unwavering focus on scientific precision.
• Encouragement of applications from high-potential women re-entering academic research roles.

Compensation and Other Benefits

• Monthly stipend ranging between ₹7,000 to ₹20,000, divided into fixed (₹5,000 - ₹10,000) and incentive components (₹2,000 - ₹10,000).
• Certificate of internship completion and a letter of recommendation upon successful conclusion.
• Flexible working hours within a 5-day workweek arrangement.

Additional Information

• This is a remote internship requiring availability to commence between July 31, 2026, and September 4, 2026, with a commitment to a three-month engagement.
• The internship will leverage Vedron.ai’s extensive network of domain experts and its AI evaluation science platform designed to improve the performance and security of intelligent systems.