Pod lead - Chemistry Science (Terminal Bench Science)

Hello,

ZettaMine!!!

Freelancing Opportunity:

Location:

Role:

Educational Eligibility:

Mode:

Start:

Duration:

LinkedIn Account is Mandatory to Apply

Mandatory Eligibility Criteria

Technical Qualification:

• Strong programming skills in

  Python, C/C++, Julia, or Fortran

  , with proficiency in Linux and terminal environments.
• Hands-on expertise in

  Computational Chemistry, Molecular Simulation, Cheminformatics, or Chemical Data Analysis

  .
• Strong understanding of quantum chemistry, molecular structures, chemical thermodynamics, numerical methods, and computational modeling.
• Experience reviewing code, scientific analyses, computational models, manuscripts, or research outputs.
• Ability to validate molecular structures, stereochemistry, charge states, spin multiplicity, energy calculations, geometry optimization, and simulation results.
• Experience checking numerical convergence, force-field parameters, software dependencies, reproducibility, and scientific accuracy.
• Experience designing or reviewing automated tests, scientific benchmarks, or computational evaluation tasks is preferred.
• Experience mentoring technical teams, reviewing deliverables, and maintaining quality standards.
• Excellent written communication skills for providing precise technical feedback and documenting requirements.

Availability

• Minimum

  40 hours per week

  .
• At least

  4 hours of availability per day

  .
• Minimum

  4 hours of overlap with PST business hours

  .

What Youll Work On

• Lead and mentor a pod of approximately

  5–10 technical trainers

  developing realistic, terminal-based scientific tasks for a frontier AI training and evaluation initiative.
• Review tasks end to end, including task statements, molecular structures, spectra, datasets, force-field parameters, computational environments, reference solutions, and automated tests.
• Validate tasks involving

  quantum chemistry, molecular simulation, reaction mechanisms, spectroscopy, cheminformatics, computational thermodynamics, and molecular properties

  .
• Ensure tasks reflect authentic chemistry research workflows and require meaningful multi-step scientific reasoning.
• Verify software versions, computational methods, basis sets, functionals, dependencies, and environment configurations for reproducibility.
• Validate chemical correctness, unit conversions, charge and spin multiplicity, stereochemistry, SCF convergence, geometry optimization, and vibrational frequency calculations.
• Review automated graders to ensure they evaluate scientific outputs such as energies, molecular geometries, thermodynamic properties, rate constants, spectral assignments, and molecular properties.
• Identify scientific inaccuracies, unrealistic assumptions, incorrect tolerances, and opportunities to bypass intended calculations.
• Screen tasks for chemical safety and escalate hazardous or dual-use content when necessary.
• Provide actionable technical feedback, track revisions, and ensure quality issues are resolved before task approval.
• Onboard and mentor trainers, allocate work, monitor quality and productivity, and resolve technical blockers.
• Maintain technical documentation, task design guidelines, and best practices throughout task development.

Nice to Have

• Familiarity with

  PySCF, Psi4, ORCA, xTB, CP2K, NWChem, GROMACS, OpenMM, AmberTools, RDKit, Open Babel, ASE, or MDAnalysis

  .
• Experience with free-energy calculations, reaction mechanism analysis, machine-learned potentials, or spectroscopy simulation.
• Familiarity with Docker, Git, CI/CD systems, automated testing, and HPC environments.
• Experience designing scientific benchmarks, programming tasks, or simulation-based evaluations.

Interested candidates:

Thanks & Regards,

Karthik K

ZettaMine