The Role
The Computational Chemistry Research Scientist will develop ML-accelerated models for climate change solutions and collaborate on computational workflows in research.
Summary Generated by Built In
1. General
- Job Title: Computational Chemistry Research Scientist
- Type: Contract
- Level: Mid-Level
- Location: Building 99, Onsite
- Workplace: 100% onsite
- Duration: ASAP to June 30th, 2024, with strong potential for extension
2. About the job
- How would you contribute to solving important problems in climate change and sustainable materials using AI-driven scientific research?
- How do you plan to collaborate effectively with cross-disciplinary teams in machine learning, computational materials and chemical sciences, and software engineering?
- How experienced are you in developing and deploying automated computational workflows for scientific research?
- Are you proficient in ab initio quantum chemistry methods and molecular dynamics simulation methods?
- Do such questions intrigue you?
3. Summary of the opportunity
- Client Overview: We are hiring on behalf of our client, Microsoft Research, a renowned leader committed to driving real-world impact on society's most pressing problems, including climate change, green energy, and sustainable materials.
- Role Summary: As a Computational Chemistry Research Scientist, you will be responsible for developing and applying ML-accelerated and generative models to accelerate decarbonization for direct air capture technologies. Your expertise in computational chemistry will contribute to the growth of data centers and sustainability research.
4. What are the key responsibilities?
- Collaborate effectively with cross-disciplinary teams across machine learning, computational materials and chemical sciences, and software engineering.
- Define a strategy to integrate advanced computational chemistry and structure-based molecular design methods into molecular discovery and optimization.
- Develop and deploy robust automated computational workflows, enabling methods to be run without significant manual input.
- Maintain the highest standards in code quality and documentation.
5. What experience are we looking for to drive success?
- MUST-Have Skills and Qualifications:
- PhD or 5+ years of computational experience degree in computational chemistry or related field.
- 5+ years of experience executing quantum chemical calculations at scale, with HPC or cloud computing systems, and with Python or similar.
- 5+ years of proficiency with molecular dynamics software packages (e.g. LAMMPS, GROMACS).
- 5+ years of proficiency with Gaussian-type basis quantum chemistry software (e.g. NWChem, PySCF, ORCA).
- 5+ years of proficiency with classical molecular dynamics simulation software (e.g. GROMACS, LAMMPS, ASE).
- Preferred Skills and Qualifications:
- Knowledge of ML-accelerated and generative models.
- Experience in molecular discovery and optimization.
6. So calling all top performers
- Exciting Opportunity: This role presents an exciting opportunity to contribute to impactful projects and initiatives while honing your skills in computational chemistry and AI-driven scientific research within a dynamic corporate environment.
- Competitive Compensation: Competitive hourly rate offered.
- Application Process: To apply for this role, please apply online or email your resume, highlighting your relevant experience and qualifications. Please ensure that your application provides accurate information.
- About this posting: This description has been designed to indicate the general nature and level of work performed by employees within this position. The actual duties, responsibilities, and qualifications may vary based on assignment.
- Equal Employment Opportunity: We are committed to diversity and inclusion. We encourage applications from diverse candidates and provide accessibility and accommodation.
In conclusion: Don't miss out on this exciting opportunity to join our team and make a meaningful impact! Apply today! Please feel free to drop in your resume at **[email protected]**.
Skills Required
- PhD or 5+ years of computational chemistry experience
- 5+ years executing quantum chemical calculations at scale
- 5+ years proficiency with molecular dynamics software (LAMMPS, GROMACS)
- 5+ years proficiency with Gaussian-type basis software (NWChem, PySCF, ORCA)
- 5+ years proficiency with classical molecular dynamics software (GROMACS, LAMMPS, ASE)
- Knowledge of ML-accelerated and generative models
- Experience in molecular discovery and optimization
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The Company
What We Do
IFG is a global professional services firm providing customized human capital solutions, specializing in staffing, recruiting, and consulting services. They focus on finance, accounting, technology, and executive search roles, serving various industries.









