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Computational Chemistry Expert (PhD) | $40-$60/hr Remote

40–60/hr
Remote
Posted August 14, 2026
contract
30 openings

Overview

A remote contractor role for a PhD in computational chemistry. You’ll guide AI training by shaping real-world input and benchmarking, applying advanced simulation methods, and refining workflows. Expect to work with a mix of electronic structure theory, molecular dynamics, and cheminformatics to improve model reasoning and performance. The position emphasizes clear scientific communication and reproducible results across the team.

What You'll Do7

  • 1Design and assess cutting edge computational chemistry pipelines used for AI benchmarking
  • 2Provide expert input on molecular simulations, electronic structure methods, and cheminformatics workflows
  • 3Tune simulation parameters and software setups to ensure reliable, repeatable outcomes
  • 4Analyze data from MD and quantum chemistry projects and translate findings into practical recommendations
  • 5Influence the development of chemistry focused AI tools and validation approaches
  • 6Convey complex scientific ideas clearly in both written and verbal form to diverse audiences
  • 7Document methods, results, and best practices to facilitate seamless knowledge transfer

Requirements5

  • 1PhD in chemistry or a closely related field or equivalent hands on experience
  • 2Deep proficiency with computational chemistry methods and heavy simulation workloads
  • 3Proficient with tools like Gaussian, ORCA, Psi4, NWChem, GROMACS, LAMMPS, AMBER, RDKit, or OpenBabel
  • 4Strong scientific programming skills with Python and experience building analytical workflows
  • 5Excellent quantitative reasoning and problem solving, with strong written and verbal communication skills

Who Should Apply

Ideal candidates are researchers who combine deep theoretical knowledge with hands on coding experience, enjoy translating complex results into actionable guidance, and want to shape AI driven chemistry tools from a remote setting.

Salary Insight

Contract role with an hourly range of $40-$60 per hour.

Location

TypeRemote
LocationRemote
This is a remote position

Required Skills

computational chemistrymolecular simulationspythongaussiangromacslammpsamberorcapsi4nwchemrdkitopenbabelcheminformaticselectronic structure methodsscientific software configurationmolecular dynamicsdrug discoveryai/ml-assisted chemistry workflowsquantitative analysisanalytical reasoningscientific programmingwritten communicationverbal communicationdocumentationproblem-solving

Application Tip

Include a brief portfolio snippet showing a recent workflow you built, including the tools used and a key improvement in model benchmarking.

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