AI Molecular Dynamics Algorithm Researcher Graduate (Seed AI for Science - Atomistic AI) - 2027[...]

ByteDance; Seattle (WA); On-site; USD 140,000 - 210,000; Full time

Job summary

ByteDance is seeking an AI Molecular Dynamics Algorithm Researcher to join the AI for Science team in Seattle. You will work on biology and materials science challenges using machine learning, MD, and quantum chemistry tools.

We welcome graduates with a PhD and strong coding skills in Python/C/C++/CUDA/Triton, and experience with MD engines like LAMMPS/OpenMM. Opportunities for bold ideas and growth are offered.

Qualifications

• PhD in Computer Science, Mathematics, Physics, Chemistry, Materials Science or related discipline.
• Proficiency in Python, C/C++, CUDA, or Triton with solid engineering skills.
• Strong communication and teamwork skills; proactive learner.

Responsibilities

• Join a research team to tackle biology and materials science problems using AI for Science.
• Stay up to date with AI for Science developments in biology, materials science, quantum chemistry, and intelligent agents.

Skills

Python

C/C++

CUDA

Triton

Machine Learning

Quantum Chemistry

Molecular Dynamics

Communication

Teamwork

Education

PhD in CS/Math/Physics/C/Chem/Materials Science

Tools

LAMMPS

OpenMM

Job description

Join us as we work together to inspire creativity and enrich life around the globe.

Location: Seattle

Team: Technology

Employment Type: Regular

Job Code: A174206B

About the Team: The AI for Science team has been focusing on tackling challenges in natural sciences, including biology, physics, and materials, with computational tools such as Machine Learning, Computational Chemistry, High-throughput Computation. Our goal is to create breakthroughs in natural science with new methodology and help the world. We are looking for an AI Molecular Dynamics Algorithm Researcher to join a multidisciplinary scientific computing research team and tackle challenging problems in biology, materials science, and related domains. We are looking for talented individuals to join our team. As a graduate, you will get opportunities to pursue bold ideas, tackle complex challenges, and unlock limitless growth. Successful candidates must be able to commit to an onboarding date by the end of the year. Please state your availability and graduation date clearly in your resume.

Responsibilities

• Join a research team with diverse backgrounds in scientific computing and help solve challenging problems in fields such as biology and materials science.
• Stay up to date with the latest developments in AI for Science, including progress in biology, materials science, quantum chemistry, and intelligent agents.

Qualifications

• Minimum Qualifications:- Individuals who are completing or have recently completed a PhD degree in Computer Science, Mathematics, Physics, Chemistry, Materials Science, or related disciplines.
• Strong communication and teamwork skills, a proactive willingness to learn, and a conscientious, responsible work ethic.
• Proficiency in at least one programming language, such as Python, C, C++, CUDA, or Triton, with solid engineering capability and the ability to effectively orchestrate coding agents in development workflows.
• Meets at least one of the following criteria:

• Familiar with quantum chemistry algorithms, with experience in developing or using DFT/Post-HF computational tools or algorithms
• Familiar with molecular dynamics engine development, with experience modifying the source code of LAMMPS or OpenMM
• Familiar with machine learning algorithms, with hands‑on experience in at least one of the following areas: LLMs, reinforcement learning, agents, or generative models
• Familiar with solid‑state physics, with hands‑on experience in materials simulation and MLIP development
• Familiar with statistical mechanics and enhanced sampling algorithms, with strong domain knowledge and development capability

• Candidates with publications in top journals in related fields and/or strong industry experience will be preferred.

Job Information

About Us

Founded in 2012, ByteDance's mission is to inspire creativity and enrich life. With a suite of more than a dozen products, including TikTok, Lemon8, CapCut and Pico as well as platforms specific to the China market, including Toutiao, Douyin, and Xigua, ByteDance has made it easier and more fun for people to connect with, consume, and create content.

Why Join ByteDance

Inspiring creativity is at the core of ByteDance's mission. Our innovative products are built to help people authentically express themselves, discover and connect – and our global, diverse teams make that possible. Together, we create value for our communities, inspire creativity and enrich life - a mission we work towards every day.

As ByteDancers, we strive to do great things with great people. We lead with curiosity, humility, and a desire to make impact in a rapidly growing tech company. By constantly iterating and fostering an "Always Day 1" mindset, we achieve meaningful breakthroughs for ourselves, our Company, and our users. When we create and grow together, the possibilities are limitless. Join us.

Diversity & Inclusion

ByteDance is committed to creating an inclusive space where employees are valued for their skills, experiences, and unique perspectives. Our platform connects people from across the globe and so does our workplace. At ByteDance, our mission is to inspire creativity and enrich life. To achieve that goal, we are committed to celebrating our diverse voices and to creating an environment that reflects the many communities we reach. We are passionate about this and hope you are too.

Reasonable Accommodation

ByteDance is committed to providing reasonable accommodations in our recruitment processes for candidates with disabilities, pregnancy, sincerely held religious beliefs or other reasons protected by applicable laws. If you need assistance or a reasonable accommodation, please reach out to us at https://tinyurl.com/RA-request