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Jobs or company...

Research Scientist

Salary undisclosed

Apply on

Linkedn
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Simplified

Standard M-F 40 hours per week, 2 hours OT per week

100% onsite

Research Scientist – Computational Chemistry

Overview

Describe the business group and team overview. Describe the purpose of the role, and what it will involve.

  • Encompassing multiple domains across machine learning, engineering, and natural sciences, Client Research is committed to empowering real-world impact on some of the most pressing problems facing society including climate change, green energy, and sustainable materials.
  • We are seeking a highly motivated and experienced research scientist with expertise in computational chemistry.
  • The ideal candidate will have a deep understanding of ab initio quantum chemistry methods, molecular dynamics simulation methods, molecule optimization, and be proficient in the design, planning, and implementation of tools and technology to support AI-driven scientific research.

Responsibilities

Outline the key responsibilities and describe what they’ll do. Include 5-6 key responsibilities that clarify the priorities of the job.

  • Collaborate effectively with cross-disciplinary teams across machine learning, computational materials and chemical sciences, and software engineering.
  • Define strategy to integrate advanced computational chemistry and structure-based molecular design methods into molecular discovery and optimization.
  • Maintain the highest standards in code quality and documentation.

Skillset

Identify the required 3-4 and preferred specific skills and technologies required for the role i.e. Please rank in order of must haves:

  • Experience executing quantum chemical calculations at scale, with HPC or cloud computing systems, and with Python or similar
  • Proficiency with molecular dynamics software packages (e.g. LAMMPS, GROMACS)
  • Proficiency with Gaussian-type basis quantum chemistry software (e.g. NWChem, PySCF, ORCA)
  • Proficiency with classical molecular dynamics simulation software (e.g. GROMACS, LAMMPS, ASE)
  • Excellent organizational and communication skills

Qualifications

  • Highlight 3-4 preferred knowledge, or experiences that are genuinely necessary for the job - ensure appropriateness for target level and career stage.
  • These will help to differentiate among Candidates.
  • Experience in the application of computational chemistry techniques, tools (e.g., electronic structure calculations and molecular mechanics) to model structures and properties of molecules and polymers.
  • Experience with atomistic simulation codes, molecular dynamics simulation codes, data acquisition, and data analysis techniques.
  • Proficiency in Python; experience with scientific programming and algorithm design. Experience with applying machine learning, in particular modern deep learning approaches, to solve relevant scientific problems is a plus.
  • Demonstrate strong analytical, problem-solving, and communication skills.
  • PhD or equivalent work experience in Chemistry, Physics, Chemical Engineering, or related field.
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