materials discovery

Old treasure maps were drawn from hearsay: someone found gold by a river, someone else in the mountains, and each person dug in their own spot. High-temperature superconductors went the same way: cuprates were found in some compounds, iron pnictides in others, nickelates in yet others, and there was no common map.

In chemistry's storeroom, records of substances no one thought were special gathered dust. It turns out that among them hide 2D materials — thin as a sheet of paper, but strong and with unexpected properties. Scientists ran a computer search through databases, and it pulled out 38 candidates that had not been recognized as 2D before.

Hunting for a new material is like cooking without a recipe: you try, try again, and often throw things out. Previously, scientists manually flipped through papers and tested compositions one by one. Now there's a "robot chef" that reads the literature itself, mixes components, and checks what came out.

DFTB is a high-speed train in the world of quantum chemistry: hundreds of times faster than classical DFT, yet still on electronic rails. But its engine — iterative self-consistency of charges — sometimes resembles an orchestra where each instrument starts from an arbitrary note.

Dark matter — the invisible architect of the universe, holding galaxies from flying apart. Thanks to the pioneering work of Fritz Zwicky and Vera Rubin we know: ordinary matter in the cosmos is just a negligible impurity. But what lies behind this dark matter?

Some crystals behave like a switch: nudge the temperature or pressure, and they turn from a conductor into an insulator. This is called a metal–insulator transition (a change in the ability to conduct electricity).

Imagine an audition for a symphony orchestra, where out of hundreds of hopefuls, only those whose instruments sound pure and withstand the furious crescendo remain. In the world of materials, computers have learned to generate 'atomic scores'—thousands of virtual crystals that promise to become the foundation for quantum chips or superconductors.

A solid electrolyte is not just a crystal lattice: it’s a bustling metropolis for ions. Each act of conduction resembles a trip through the city: there are wide highways with low energy barriers, gridlocks in bottlenecks, and tricky detours where an ion can get stuck.

Searching for a new material is like looking for a needle in a haystack, but here the haystack is millions of possible atomic combinations. In the past, scientists spent years trying out options in the lab, relying on intuition and luck. Now, artificial intelligence is stepping in, learning to 'understand' the language of crystals.

A library of 27,000 books, and every one of them is about concrete. Each contains a mix recipe, temperature, and strength. But the information is scattered across paragraphs, tables, and footnotes. For a human, gathering it all together would take years. The program did it in an hour.

The Red Planet is surrounded by the rubble of failed worlds — rocky boulders stuffed with metal. Shipping a kilogram of steel from Earth to Mars costs as much as several cars. It's far cheaper to pick up space junk right in orbit.

A cold cloud of atoms is like a swarm of fireflies drawn to one another. The attraction between atoms tries to pack them into a single dense ball. But quantum jitter, the unavoidable motion of particles, keeps the ball from collapsing. When the attraction is strong, the cloud breaks into separate clumps.

Silicon is like a universal building block: it goes into the chips in your phone, solar panels, and lasers. But if you squeeze it with immense force, the atoms rearrange into new patterns: these forms are called allotropes. One of them, Si-XIII, was first spotted more than twenty years ago, but its exact pattern remained a mystery.

Modern batteries with liquid electrolytes can leak or catch fire. Polymer electrolytes (solid, plastic-like materials) solve that problem, but ions move through them more slowly, so the battery loses power. Researchers set up a virtual assembly line: a computer program generated new polymer structures the way a chef experiments with new dough recipes.

A material is like a person: if you stretch it for a long time, it remembers and behaves differently. Engineers have spent years fitting formulas to describe such memory. Now a neural network does it on its own. The new architecture, iCKAN, takes test data and converts it into equations.

Inside a fuel cell, protons must race through a solid material like commuters through turnstiles at rush hour. If the turnstiles are sparse and narrow, the current is weak. In the past, to find a material with good proton conductivity, chemists had to screen compounds almost blindly, one by one.

A tiny crystal flake rests on a substrate like an autumn leaf on a palm. It's thinner than a human hair, yet inside it quantum effects are simmering: superconductivity, magnetic order, quantum spin liquid.