The Autonomous Formulation Laboratory

Accelerating materials discovery through AI-driven experimentation

The AFL is a multi-facility collaborative project that originated at the National Institute of Standards and Technology (NIST), US Department of Commerce, and has since expanded to include partnerships with companies, academic laboratories, and facilities worldwide.

The AFL aims to provide open-source hardware, control software, and AI algorithms to accelerate materials optimization and discovery.

High quality rendering of a pipetting robot connected to a neutron scattering instrument

Credit: NIST / Dean M DeLongchamp

Our Mission

We are committed to advancing materials science by integrating automation, artificial intelligence, and advanced characterization techniques. Our objective is to expedite the discovery and optimization of complex liquid formulations, which are vital in various industries, including pharmaceuticals, personal care products, and coatings.

What We Offer

Open-Source Hardware

We provide designs and specifications for automated liquid handling systems capable of precise and reproducible formulation synthesis.

Explore our hardware designs (repo) →

Explore our hardware designs (docs) →

Tutorials

Learn how to use the AFL platform through our comprehensive tutorials and guides.

Explore our tutorials (repo) →

Explore our tutorials (docs) →

Control Software

Our automation software facilitates seamless integration and operation of laboratory equipment, enabling both manual and autonomous experiments.

Access our automation software (repo) →

Access our automation software (docs) →

AI Algorithms

We develop and share artificial intelligence algorithms that drive autonomous experimentation, enabling rapid exploration of formulation spaces and optimization of material properties.

View our AI algorithms (repo) →

View our AI algorithms (docs) →

Program Overview

The Autonomous Formulation Laboratory is a joint program between the nSoft consortium, NCNR, and NIST's Materials Measurement Lab focused on accelerating materials discovery and formulation optimization through artificial intelligence (AI) and machine learning (ML) directed, multimodal scattering experiments.

The core of the AFL platform is an open source, NCNR-developed platform to prepare liquid mixtures via pipetting, transfer those mixtures to a measurement cell, perform a SANS (or SAXS or other method) experiment, and provide the data to an AI guidance server.

Formulation engineering is at the core of soft materials-based products that cut across industry and everyday life: paints, vaccines, fuels, and shampoos are just a few examples of products that are formulated with tens to hundreds of individual components.

How to Get Involved

We welcome contributions from the community to enhance and expand the AFL's capabilities. Here's how you can participate:

  • Collaborate: Join our network of researchers and institutions to work on joint projects or share data and insights.
  • Contribute: Develop and submit improvements to our hardware designs, software codebase, or AI algorithms.
  • Utilize: Leverage our resources in your own research or industrial applications, and provide feedback to help us improve.

If you are interested in replicating the AFL, or using it at the NCNR, please reach out to Dr. Peter Beaucage or Dr. Tyler Martin for more details!

Other facilities in the US and around the world will soon offer the AFL platform as a user facility and will be listed here.

Resources

  • Documentation: Comprehensive guides and manuals are available in our GitHub repositories.
  • Publications: Explore our research publications, including our 2023 Chemistry of Materials publication.
  • Community Forum: Engage with other users, ask questions, and share experiences through our online community platform.

Our Repositories