We are seeking a Computational Materials Scientist with expertise in machine learning for atomistic modeling to join our team at the senior level. This role involves developing and deploying reactive machine-learned interatomic potentials (MLIPs) that accurately model chemical reactions, enabling predictive simulations with near first-principles accuracy but greater scalability. Day-to-day responsibilities include building ML models for energy and force predictions, generating high-quality training datasets from DFT methods, and integrating MLIPs with molecular dynamics to simulate various material behaviors. The ideal candidate will have hands-on experience with frameworks like MACE or DeepMD, proficiency in Python and PyTorch, and a strong background in first-principles methods and atomistic simulations. Additionally, the role requires expertise in high-performance computing environments and collaboration with experimental teams for materials optimization.
Develop and deploy reactive MLIPs to model chemical reactions and dynamic material behavior.
Build ML models predicting energies, forces, and reaction pathways with near DFT-level accuracy.
Generate high-quality training datasets from first-principles methods for MLIP development.
Implement active learning workflows to enhance model robustness and coverage of configuration space.
Integrate MLIPs with molecular dynamics simulations for reactive processes and diffusion studies.
What we're looking for
Ph.D. in Materials Science, Physics, Chemistry, or related field.
Expertise in reactive machine-learned interatomic potentials (MLIPs) for modeling chemical reactions.
Experience with MLIP frameworks like MACE, NequIP, GAP, SNAP, DeepMD.
Strong background in first-principles methods (DFT) and atomistic simulations (MD).
Proficiency in Python and ML frameworks such as PyTorch or TensorFlow.
Hands-on experience working in HPC environments for large-scale simulations.
Market check
Salary context
This
$138,000–$190,000
range sits above
49%
of similar postings on FindRole.
Peer median band
$120,000–$225,000
Median floor and ceiling across peers.
Typical midpoint (25–75%)
$135,750–$201,700
Middle half of comparable postings.
Based on 240 comparable postings.*
* 240 is the maximum number of comparable postings sampled.
Employer
About Applied Materials
Applied Materials is the world''s largest supplier of equipment, services, and software for the semiconductor and display industries, enabling the production of chips and advanced displays. Industry: Semiconductor Equipment
Applied Materials currently has
65 open roles
on FindRole.
Listed pay typically runs
$141,000–$193,500
across 65 roles with salary data.
Us, Ca, Santa Clara, US140 days ago
$168,000–$264,500
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