Remote Computational Chemistry & AI Benchmarking Expert

micro1; United States; Remote; USD 83,000 - 165,000; Part time

Job summary

Himalayas is seeking a Computational Biology & Bioinformatics Expert (PhD) for remote contract work. You will apply your expertise to train AI systems, shape how models learn, and contribute to real-world chemistry and drug-discovery workflows.

Responsibilities include designing workflows, providing insights on molecular simulations, optimizing parameters, analyzing complex data, and documenting methods for cross-team knowledge transfer. Strong English and a PhD are required.

Qualifications

• PhD in chemistry or closely related field, or equivalent industry/research experience.
• Professional written and spoken English (C1 or higher).
• Deep expertise with computational chemistry methods and heavy simulation environments.
• Proficiency with Gaussian, ORCA, Psi4, NWChem, GROMACS, LAMMPS, AMBER, RDKit, or OpenBabel.

Responsibilities

• Design, evaluate, and critique advanced computational chemistry workflows to support AI benchmarking.
• Provide expert-level insights on molecular simulations and cheminformatics pipelines.
• Assess and optimize simulation parameters and software configurations for accuracy.
• Analyze data from molecular dynamics, quantum chemistry, and drug discovery projects.
• Guide development and validation of chemistry-related AI models and tools.
• Communicate complex scientific concepts clearly to technical and non-technical collaborators.
• Document findings, methodologies, and best practices for knowledge transfer.

Skills

Python

Analytical workflow

Scientific communication

English proficiency

Education

PhD in Chemistry

Tools

Gaussian

ORCA

Psi4

NWChem

GROMACS

LAMMPS

AMBER

RDKit

OpenBabel

Job description

Himalayas is seeking a Computational Biology & Bioinformatics Expert (PhD) for remote contract work. You will apply your expertise to train AI systems, shape how models learn, and contribute to real-world chemistry and drug-discovery workflows.

Responsibilities include designing workflows, providing insights on molecular simulations, optimizing parameters, analyzing complex data, and documenting methods for cross-team knowledge transfer. Strong English and a PhD are required.