Computational Materials Scientist

Radical AI

1d

About The Position

Radical AI is an artificial intelligence company that is accelerating scientific research & development. We are at the forefront of innovation in the field of materials R&D, a critical driver for advancing our most cutting-edge industries and shaping the future. Breaking away from the traditionally slow and costly R&D process, Radical AI leverages artificial intelligence and machine learning to pioneer generative materials science. This innovative field blends AI, engineering, and materials science, revolutionizing how materials are created and discovered. Radical AI's approach speeds up R&D and addresses global challenges, setting new benchmarks in technology and sustainability.
As a Computational Materials Scientist, you will be engaging in materials simulations and AI/ML model building for materials discovery, development, and characterization. Your expertise with ab-initio calculations, DFT, molecular dynamics, and other forms of computational and theory-based modeling will be crucial to our AI-driven discovery process. Special emphasis will be on techniques and software development to quantify the delta between bulk material properties and thin film, interfaces, and multi-stack material properties that drive semiconductor integration research and development. You will explore a range of properties from mechanical, electrical, and thermal to develop metrics for screening materials for different end commercial applications. You will work with leading AI scientists who depend on you to assist in data aggregation, data generation, materials simulation and model development. You will draw on a robust background in computational materials, software development, and machine learning. You will be responsible for running AI-enabled computational workflows for materials discovery, serving as a critical resource to the ML and materials research teams. In addition, you will be expected to interact regularly with computational chemists focusing on precursor discovery as well as reaction discovery in gas phase and on surfaces. You want to not just live in your computer simulations but be exposed to the messy reality and the challenge of verifying your predictions with real data and be open to deep diving to understand why the results don’t agree and what to do better next time. We are looking for both a designer to develop core AI/ML and DFT workflows and potentially software as well as an application engineer to execute workflows at scale to help drive wet materials research and development. The journey to commercialization of new materials is long and windy. You must be patient, ready, and look forward to the twists and turns

Requirements

• expertise with ab-initio calculations, DFT, molecular dynamics, and other forms of computational and theory-based modeling
• robust background in computational materials, software development, and machine learning

Responsibilities

• engaging in materials simulations and AI/ML model building for materials discovery, development, and characterization
• quantify the delta between bulk material properties and thin film, interfaces, and multi-stack material properties that drive semiconductor integration research and development
• explore a range of properties from mechanical, electrical, and thermal to develop metrics for screening materials for different end commercial applications
• assist in data aggregation, data generation, materials simulation and model development
• running AI-enabled computational workflows for materials discovery
• serving as a critical resource to the ML and materials research teams
• interact regularly with computational chemists focusing on precursor discovery as well as reaction discovery in gas phase and on surfaces
• develop core AI/ML and DFT workflows and potentially software
• execute workflows at scale to help drive wet materials research and development

Benefits

• Medical, dental, and vision insurance for you and your family, covered at 100%
• Mental health and wellness support
• Flexible PTO and 14+ company holidays per year
• 401K
• Work closely with a team on the cutting edge of AI research
• A mission: an opportunity to fundamentally change the way humanity makes progress through materials science discovery

What This Job Offers

• Job Type: Full-time
• Education Level: No Education Listed