Computational Chemist

Radical AI

3d

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 Chemist, you will focus on molecular modeling simulations and AI/ML model building for precursor and reaction discovery, development, and characterization. Special emphasis will be on modeling techniques to explore reactions for Atomic Layer Deposition and Chemical Vapor Deposition techniques ranging from nucleation to selectivity and film growth. Exploring radicals and higher spin states will play a role as well. Your expertise with ab-initio calculations, DFT, and other forms of computational and theory-based modeling will be crucial to our AI-driven discovery process. You will work with leading AI scientists who depend on you to assist in data aggregation, data generation, chemistry simulation and model development. You will draw on a robust background in computational chemistry, software development, and machine learning. You will be responsible for running AI-enabled computational workflows for chemistry discovery, serving as a critical resource to the ML and materials research teams. In addition, you will be expected to interact regularly with computational materials scientists focusing on materials discovery for bulk, multi-material stacks, and surface material properties as well as thin film nucleation and growth. 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 chemistry research and development. The journey to commercialization of new chemistries is long and windy. You must be patient, ready, and look forward to the twists and turns.

Requirements

• Expertise with ab-initio calculations, DFT, and other forms of computational and theory-based modeling
• Robust background in computational chemistry, software development, and machine learning

Responsibilities

• Focus on molecular modeling simulations and AI/ML model building for precursor and reaction discovery, development, and characterization.
• Explore reactions for Atomic Layer Deposition and Chemical Vapor Deposition techniques ranging from nucleation to selectivity and film growth.
• Explore radicals and higher spin states.
• Assist in data aggregation, data generation, chemistry simulation and model development.
• Run AI-enabled computational workflows for chemistry discovery.
• Interact regularly with computational materials scientists focusing on materials discovery for bulk, multi-material stacks, and surface material properties as well as thin film nucleation and growth.
• Develop core AI/ML and DFT workflows and potentially software.
• Execute workflows at scale to help drive wet chemistry 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
• Career Level: Mid Level
• Education Level: No Education Listed