AI-Driven Autonomous Materials Discovery

Accelerating materials innovation through AI/ML and lab automation.

We combine high throughput materials simulation, AI/ML and robotic synthesis to help teams discover, evaluate, and optimize next-generation materials.

4,280

candidate compounds screened

Synthesizability

Performance

Corrosion resistance

AI model Powered by specialized database
DFT Automated calculation flow

Services

Design materials with complexity.

01

Consulting

We provide advice and guidance for building high throughput workflows, AI/ML model and robotic synthesis lab.

02

High throughput calculations

We are emphasizing on building up workflows for high throughput calculations from different scale and theoretical frameworks.

03

High-Throughput Experiment

We design workflow and orchestration system to enable high throughput experimentation, from synthesis, characterization to property measurements.

04

Specialized AI/ML models

We develop and deploy domain specific AI/ML models to solve specialized materials science problems.

Approach

From computational design to close-the-loop materials discovery.

We accelerate materials scale-up through specialized databases, integrated theory-experiment workflows, and dedicated AI/ML tools for materials prediction and optimization.

01

High throughput DFT simulation

02

ICME and CALPHAD-based materials database

03

Predictive physical or machine learning model

04

Autonomous laboratory

Team

Built by active researchers in materials science.

We are active researchers in materials science and engineering, developing computational and experimental approaches to accelerate materials discovery.

Portrait of Dr. Bin Ouyang

Dr. Bin Ouyang

Founder / Professor

Vanderbilt University

Dr. Bin Ouyang did PhD at McGill University in Materials Engineering, followed by postdoctoral training at UC Berkeley in Materials Science and Engineering. He currently leads a research group at Vanderbilt University working on data-driven materials design.

Portrait of Dr. Yan Zeng

Dr. Yan Zeng

Co-Founder / Professor

Vanderbilt University

Dr. Yan Zeng did PhD at McGill University in Materials Engineering, followed by postdoctoral training at Lawrence Berkeley National Laboratory. She currently leads a research group at Vanderbilt University working on lab automation for energy materials and sustainability.

Contact

Have a materials challenge?

Tell us what you are trying to discover, optimize, or understand. We will help translate the problem into a clear computational plan.

contact@matterfoundry.ai