To tackle climate change, scientists and advocates have called for a bevy of actions that include reducing fossil fuel use, electrifying transportation, reforming agriculture, and mopping up excess carbon dioxide from the atmosphere. But many of these challenges will be insurmountable without behind-the-scenes breakthroughs in materials science. Today's materials lack key properties needed for scalable climate-friendly technologies. Batteries, for example, require improved materials that can yield higher energy densities and longer discharge times. Without such improvements, commercial batteries won't be able to power mass-market electric vehicles and support a renewable-powered grid.

Creating nanomaterials with flame spray pyrolysis is complex, but scientists at Argonne have discovered how applying artificial intelligence can lead to an easier process and better performance. During a tour of the Manufacturing and Engineering Research Facility at the U.S. Department of Energy's Argonne National Laboratory, Marius Stan, the Intelligent Materials Design lead in Argonne's Applied Materials Division (AMD), encountered a new experimental setup. As he watched the machine in the experiment, which relies on flame to produce nanomaterials, he had a thought: Could artificial intelligence be used to optimize this complex process? When asked to explain the process, Stan put it simply: "It's where scientists put chemicals in a flame and wait for a miracle--for particles to appear at the end of the process, particles that have important properties for a variety of applications." Flame spray pyrolysis is a technology that enables the manufacturing of nanomaterials in high volumes, which in turn is critical to producing a wide range of industrial materials, like chemical catalysts, battery electrolytes/cathodes and pigments.

In the summer of 2018, a hobby drone dropped a small package near the lip of Stromboli, a volcano off the coast of Sicily that has been erupting almost constantly for the past century. As one of the most active volcanoes on the planet, Stromboli is a source of fascination for geologists, but collecting data near the roiling vent is fraught with peril. So a team of researchers from the University of Bristol built a robot volcanologist and used a drone to ferry it to the top of the volcano where it could passively monitor its every quake and quiver until it was inevitably destroyed by an eruption. The robot was a softball-sized sensor pod powered by microdoses of nuclear energy from a radioactive battery the size of a square of chocolate. The researchers called their creation a dragon egg. Dragon eggs can help scientists study violent natural processes in unprecedented detail, but for Tom Scott, a materials scientist at Bristol, volcanoes were just the beginning.

BOSTON--In July 2018, Curtis Berlinguette, a materials scientist at the University of British Columbia in Vancouver, Canada, realized he was wasting his graduate student's time and talent. He had asked her to refine a key material in solar cells to boost its electrical conductivity. But the number of potential tweaks was overwhelming, from spiking the recipe with traces of metals and other additives to varying the heating and drying times. "There are so many things you can go change, you can quickly go through 10 million [designs] you can test," Berlinguette says. So he and colleagues outsourced the effort to a single-armed robot overseen by an artificial intelligence (AI) algorithm.

Citrine is a company that builds data infrastructure and predictive data analysis software for the materials industry. Machine learning is a key tool in our toolbox. I have had a few professors and students in materials departments ask me (1) how machine learning could help in their research; and (2) how to quickly come up to speed in machine learning without going back to school for a degree in computer science. While a variety of machine learning courses and how-tos exist on the web already (see here, here, or here), none are specific to the field of materials science. I think the best way to master a new concept is by directly applying it, so this tutorial will show you how to build a machine learning-based model of a canonical solid-state materials property: band gap.

For hundreds of years, new materials were discovered through trial and error, or luck and serendipity. Now, scientists are using artificial intelligence to speed up the process. Recently, researchers at Northwestern University used AI to figure out how to make new metal-glass hybrids 200 times faster than they would have doing experiments in the lab. Other scientists are building databases of thousands of compounds so that algorithms can predict which ones combine to form interesting new materials. Others yet are using AI to mine published papers for "recipes" to make these materials.

It's a strong contender for the geekiest video ever made: a close-up of a smartphone with line upon line of numbers and symbols scrolling down the screen. But when visitors stop by Nicola Marzari's office, which overlooks Lake Geneva, he can hardly wait to show it off. "It's from 2010," he says, "and this is my cellphone calculating the electronic structure of silicon in real time!" Even back then, explains Marzari, a physicist at the Swiss Federal Institute of Technology in Lausanne (EPFL), Switzerland, his now-ancient handset took just 40 seconds to carry out quantum-mechanical calculations that once took many hours on a supercomputer -- a feat that not only shows how far such computational methods have come in the past decade or so, but also demonstrates their potential for transforming the way materials science is done in the future. Instead of continuing to develop new materials the old-fashioned way -- stumbling across them by luck, then painstakingly measuring their properties in the laboratory -- Marzari and like-minded researchers are using computer modelling and machine-learning techniques to generate libraries of candidate materials by the tens of thousands.

It's a strong contender for the geekiest video ever made: a close-up of a smartphone with line upon line of numbers and symbols scrolling down the screen. But when visitors stop by Nicola Marzari's office, which overlooks Lake Geneva, he can hardly wait to show it off. "It's from 2010," he says, "and this is my cellphone calculating the electronic structure of silicon in real time!" Even back then, explains Marzari, a physicist at the Swiss Federal Institute of Technology in Lausanne (EPFL), Switzerland, his now-ancient handset took just 40 seconds to carry out quantum-mechanical calculations that once took many hours on a supercomputer -- a feat that not only shows how far such computational methods have come in the past decade or so, but also demonstrates their potential for transforming the way materials science is done in the future. Instead of continuing to develop new materials the old-fashioned way -- stumbling across them by luck, then painstakingly measuring their properties in the laboratory -- Marzari and like-minded researchers are using computer modelling and machine-learning techniques to generate libraries of candidate materials by the tens of thousands.

It's a strong contender for the geekiest video ever made: a close-up of a smartphone with line upon line of numbers and symbols scrolling down the screen. But when visitors stop by Nicola Marzari's office, which overlooks Lake Geneva, he can hardly wait to show it off. "It's from 2010," he says, "and this is my cellphone calculating the electronic structure of silicon in real time!" Even back then, explains Marzari, a physicist at the Swiss Federal Institute of Technology in Lausanne (EPFL), Switzerland, his now-ancient handset took just 40 seconds to carry out quantum-mechanical calculations that once took many hours on a supercomputer -- a feat that not only shows how far such computational methods have come in the past decade or so, but also demonstrates their potential for transforming the way materials science is done in the future. Instead of continuing to develop new materials the old-fashioned way -- stumbling across them by luck, then painstakingly measuring their properties in the laboratory -- Marzari and like-minded researchers are using computer modelling and machine-learning techniques to generate libraries of candidate materials by the tens of thousands.

It's a strong contender for the geekiest video ever made: a close-up of a smartphone with line upon line of numbers and symbols scrolling down the screen. But when visitors stop by Nicola Marzari's office, which overlooks Lake Geneva, he can hardly wait to show it off. "It's from 2010," he says, "and this is my cellphone calculating the electronic structure of silicon in real time!" Even back then, explains Marzari, a physicist at the Swiss Federal Institute of Technology in Lausanne (EPFL), Switzerland, his now-ancient handset took just 40 seconds to carry out quantum-mechanical calculations that once took many hours on a supercomputer--a feat that not only shows how far such computational methods have come in the past decade or so, but also demonstrates their potential for transforming the way materials science is done in the future. Instead of continuing to develop new materials the old-fashioned way--stumbling across them by luck, then painstakingly measuring their properties in the laboratory--Marzari and like-minded researchers are using computer modelling and machine-learning techniques to generate libraries of candidate materials by the tens of thousands.