Research Prime

PhD Residency - Computational Chemistry

Organisation Name: SandboxAQ
Organisation Type:
City:
State:
Country: United States

Job Description:

SandboxAQ is solving challenging problems with AI + Quantum for positive impact. We partner with global leaders in government, academia, and the private sector to identify applications that would benefit from quantum-based applications to current and future commercial challenges. We engage with customers early and throughout the development process to improve market fit.

Our team’s unique approach enables cross-pollination across a diverse range of fields, from physics, computer science, neuroscience, mathematics, cryptography, natural sciences and more! Our success comes from coalescing diverse talent to create an environment where experimental thinking and collaboration yield breakthrough AI + Quantum solutions. Join a culture where thought leadership, diverse talent, employee engagement, and technological impact will create the next tech uproar.

We are deeply committed to education as a means to advance quantum solutions and computing initiatives. We invest in future talent through internship programs, research papers, developer tools, textbooks, educational talks/events and partnerships with universities/talent hubs to attract multi-disciplinary talent. Our hope is to inspire people from all walks of life to be prepared for the quantum era and encourage a path in STEM.

Residencies at SandboxAQ

If you’re a graduate student in STEM ready to bring the new AI + Quantum era to the world, consider joining our residency program at SandboxAQ.

We are currently looking for PhD students in a wide variety of STEM fields — physics, computer science, AI, neuroscience, chemistry, cryptography, mathematics/statistics, biomedical engineering, aerospace engineering, geophysics, and more — to join our world-class team of engineers, scientists and technologists.

Computational Chemistry

Our S&O team is looking for PhD students in computational chemistry or related fields to help develop ML and HPC pipelines to perform challenging simulations of biomolecules. You will work closely with project teams to prototype and scale meaningful, impactful solutions. 

We are looking for candidates with either of two overlapping skill sets. The protein-ligand skill set centers around challenging MD simulations of protein-ligand binding. The machine-learned force fields skill set centers around the application of machine learning to molecular simulation. While we conceive these as different domains, we especially value candidates with experience in both areas.

We are looking for candidates with several skills from either of the following:

Protein-ligand binding:

  • Familiarity with GPU-accelerated MD codes like OpenMM, NAMD, Gromacs, etc.
  • Experience simulating the structure and dynamics of proteins with MD.
  • Experience computing poses, conformations, and binding affinities of flexible, large-sized ligands.
  • Experience setting up MD simulations of biomacromolecules (initialization of protein structure, solvation, protonation, etc).
  • Familiarity with protein science concepts (homology, alignment, etc.) and open-source codes and databases.
  • Familiarity with docking software.
  • Familiarity with structural and dynamic analysis of protein MD trajectories.
  • Experience with ab initio codes is a plus.

Machine-learned force fields:

  • Experience performing ab initio molecular simulations, particularly in a high-throughput context.
  • Experience running molecular dynamics simulations of biomacromolecules.
  • Familiarity with common molecular representations for machine learning.
  • Familiarity with network architectures and molecular representations for machine-learned force fields.
  • Experience constructing databases for machine-learned force fields.
  • Experience training and applying machine-learned force fields for molecular dynamics simulations of macromolecules.

Details

  • Location: Remote. *hardware/laboratory residents for Quantum Sensing onsite in SF Bay, CA
  • Start date: Year-round, on a rolling basis
  • Duration: Flexible, typically between 4 months to one year

Eligibility

  • Currently enrolled in a STEM PhD program: computational chemistry or related field. **Non-PhD post-graduate students may be considered on a case-by-case basis (e.g. MD, Masters)
  • Proficiency with at least one programming language (Python, C/C++, Matlab, etc.)
  • For questions, email residency@sandboxaq.com

What to Expect

  • Work on a technical project with scientists and engineers on one of our core teams:
  • Engagement with fellow residents
  • Competitive compensation
  • Present findings to the rest of Sandbox AQ
  • Have fun!

 

SandboxAQ welcomes all.

We are committed to creating an inclusive culture where we have zero tolerance for discrimination. We invest in our employees' personal and professional growth. Once you work with us, you can’t go back to normalcy because great breakthroughs come from great teams and we are the best in quantum technology.
 
We offer competitive salaries, stock options depending on employment type, generous learning opportunities, medical/dental/vision, family planning/fertility, PTO (summer and winter breaks), financial wellness resources, 401(k) plans, and more. 
 
Equal Employment Opportunity: All qualified applicants will receive consideration regardless of race, color, ancestry, religion, sex, national origin, sexual orientation, age, citizenship, marital status, disability, gender identity or Veteran status.

Posting Date: May 17, 2023
Closing Date:
Organisation Website/Careers Page: https://www.sandboxaq.com/careers-list?gh_jid=4505286004


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