Chemistry Expert – Technical Trainer Lead

Chemistry Expert – Technical Trainer Lead

This role is part of the “Weekday Partner Network”, i.e., posted by one of our clients

About the role

Role Overview: We are seeking experienced Chemistry experts to lead a team of technical trainers developing scientific tasks for advanced AI training and evaluation. The role involves reviewing computational chemistry tasks for chemical accuracy, reproducibility, safety, and evaluation quality, while mentoring trainers and ensuring consistent delivery of high-quality scientific tasks.

Requirements

• Ph.D., postdoctoral experience, or equivalent advanced expertise in Chemistry or a closely related field.
• Strong programming skills in Python, C/C++, Julia, or Fortran, with proficiency in Linux and terminal-based environments.
• Hands-on experience with computational chemistry, molecular simulation, cheminformatics, or chemical data analysis.
• Strong understanding of chemical principles, computational methods, numerical accuracy, and scientific reproducibility.
• Experience reviewing scientific code, research analyses, manuscripts, or other technical outputs.
• Prior experience mentoring or leading small technical or research teams.
• Excellent written communication skills and the ability to provide clear, constructive technical feedback.

Nice to Have:

• Familiarity with tools such as PySCF, Psi4, ORCA, xTB, CP2K, GROMACS, OpenMM, RDKit, or other computational chemistry software.
• Experience with free-energy methods, reaction mechanism analysis, spectroscopy simulation, or machine-learned potentials.
• Familiarity with Docker, Git, automated testing, CI systems, or high-performance computing (HPC) environments.
• Experience designing scientific benchmarks, programming tasks, or simulation-based evaluations.

Project Details:

• Commitment: Full-time — minimum 40 hours/week, with at least 4 hours of overlap with PST.

• Duration: 3 weeks.

• Start Date: Expected to begin next week.

• Employment Type: Contractor assignment (no medical or paid leave).

• Role Responsibilities: Lead a pod of trainers, review scientific tasks and automated graders, ensure chemical correctness, reproducibility and safety, and maintain quality standards throughout task development.

• Good-to-have skills

• Chemistry

• Python

• C++

• Julia

• Fortran

• Linux

• Computational Chemistry

• Molecular Simulation

• Cheminformatics

• Chemical Data Analysis

• Scientific Reproducibility

• Code Review

• Mentoring

• PySCF

• Psi4

• ORCA

• xTB

• CP2K

• GROMACS

• OpenMM

• RDKit

• Free-energy Methods

• Reaction Mechanism Analysis

• Spectroscopy Simulation

• Machine-learned Potentials

• Docker

• Git

• Automated Testing

• CI Systems

• High-performance Computing