Lead Computational Chemistry Trainer

Turing; United States; Remote; USD 83,000 - 138,000; Full time

Job summary

Turing is seeking an experienced Chemistry expert to lead a pod of trainers building realistic, terminal-based scientific tasks for Terminal Bench Science. You will review every task for chemical correctness, reproducibility, safety, and grader reliability, and coach trainers to deliver high-quality, challenging tasks.

You will verify methods, force fields, and dependencies are pinned; ensure proper units and convergence checks; and mentor the team to maintain rigorous, authentic chemistry

Qualifications

• PhD or equivalent advanced chemistry experience is required.
• Strong programming skills in Python and lower-level languages; Linux proficiency.
• Experience reviewing code, analyses, manuscripts, or research outputs.
• Experience mentoring or leading small technical or research teams.
• Excellent written communication for precise feedback.

Responsibilities

• Review trainer tasks end to end, including statements, structures, spectra and datasets, parameters, environments, solutions and tests.
• Verify tasks reflect authentic chemistry workflows and require multi-step reasoning.
• Ensure force fields, basis sets, functionals, and dependencies are properly pinned and reproducible.
• Validate chemical correctness: units, charge, spin, stereochemistry, convergence, and sampling adequacy.
• Ensure graders verify energies, geometries, thermodynamics, rate constants, spectra, or properties, not formatting.
• Prevent gaming via hard-coded outputs or bypassed computations.
• Screen tasks for chemical safety and dual-use concerns.
• Provide clear feedback and track revisions through closure.
• Onboard and mentor trainers on task design standards and quality metrics.
• Allocate work across the pod and monitor throughput and quality.

Skills

Python

C/C++

Julia

Fortran

Linux

Terminal proficiency

Computational chemistry

Code review

Mentoring

Scientific writing

Data analysis

Education

PhD in Chemistry (or equivalent)

Tools

PySCF

Psi4

ORCA

CP2K

NWChem

GROMACS

OpenMM

AmberTools

RDKit

Open Babel

ASE

MDAnalysis

Job description

Turing is seeking an experienced Chemistry expert to lead a pod of trainers building realistic, terminal-based scientific tasks for Terminal Bench Science. You will review every task for chemical correctness, reproducibility, safety, and grader reliability, and coach trainers to deliver high-quality, challenging tasks.

You will verify methods, force fields, and dependencies are pinned; ensure proper units and convergence checks; and mentor the team to maintain rigorous, authentic chemistry