Chemical Research Scientist | $90/hr Remote

Crossing Hurdles; India; On-site; INR 1,200,000 - 2,400,000; Full time

Job summary

Crossing Hurdles seeks a PhD-level chemist to design and evaluate chemistry problems and workflows for AI benchmarking initiatives. You will provide expert insights on reaction mechanisms, spectroscopy analysis, and molecular simulations, guiding AI model development.

Strong Python skills and experience with Gaussian/ORCA/Psi4 or GROMACS/LAMMPS/RDKit are required, along with excellent communication to collaborate with technical and non-technical teams. Fluency in English is essential.

Qualifications

• PhD in chemistry or closely related field.
• Wet-lab experience or heavy simulation experience.
• Deep expertise in at least one chemistry domain.
• Professional English (C1+).
• Proficiency in Python and industry-standard tools (Gaussian, ORCA, Psi4, GROMACS, LAMMPS, RDKit).
• Excellent quantitative, analytical, and scientific reasoning skills.
• Outstanding written and verbal communication abilities.
• Track record of rigorous scientific problem-solving.

Responsibilities

• Design, evaluate, and critique chemistry and computational chemistry problems, workflows, and reasoning chains to support AI benchmarking initiatives.
• Provide expert-level insights on reaction mechanisms, synthesis planning, spectroscopy analysis, molecular simulations, and electronic structure methods.
• Assess and optimize experimental protocols, simulation parameters, and software configurations for accuracy and reproducibility.
• Analyze chemical, spectroscopic, and simulation data and provide actionable recommendations.
• Leverage domain knowledge to guide the development and validation of chemistry-related AI models and tools.
• Communicate complex scientific concepts clearly, both in writing and verbally, to technical and non-technical collaborators.
• Document findings, methodologies, and best practices to ensure knowledge transfer across the customer s team.

Skills

English proficiency

Analytical thinking

Scientific reasoning

Written & verbal communication

Problem solving

Education

PhD in chemistry or related

Tools

Gaussian

ORCA

Psi4

GROMACS

LAMMPS

RDKit

Job description

• Design, evaluate, and critique chemistry and computational chemistry problems, workflows, and reasoning chains to support AI benchmarking initiatives.
• Provide expert-level insights on reaction mechanisms, synthesis planning, spectroscopy analysis, molecular simulations, and electronic structure methods.
• Assess and optimize experimental protocols, simulation parameters, and software configurations for accuracy and reproducibility.
• Analyze chemical, spectroscopic, and simulation data and provide actionable recommendations.
• Leverage domain knowledge to guide the development and validation of chemistry-related AI models and tools.
• Communicate complex scientific concepts clearly, both in writing and verbally, to technical and non-technical collaborators.
• Document findings, methodologies, and best practices to ensure knowledge transfer across the customer s team.

Requirements

• PhD in chemistry, computational chemistry, chemical biology, materials science, or a closely related field.
• Hands-on research lab experience, including wet lab experience for experimental subfields, or extensive simulation-heavy research for computational subfields.
• Deep expertise in at least one of the areas listed above.
• Professional written and spoken English (C1 or higher).
• Proficiency in Python and/or industry-standard tools in your subfield (e.g., Gaussian, ORCA, Psi4, GROMACS, LAMMPS, RDKit).
• Excellent quantitative, analytical, and scientific reasoning skills.
• Outstanding written and verbal communication abilities, with the ability to clearly document and explain technical concepts.
• Track record of rigorous scientific problem-solving in complex chemistry domains.