Imagine the concrete in our homes and bridges not only withstanding the ravages of time and natural disasters like the intense heat of wildfires, but actively self-healing or capturing carbon dioxide ...

While quantum computers continue to slowly grind towards usefulness, some are pursuing a different approach—analog quantum simulation. This path doesn’t offer complete control of single bits of ...

For more than half a century, materials scientists have struggled with how to simulate the complexity of polymer materials.

When a molecule absorbs light, it undergoes a whirlwind of quantum-mechanical transformations. Electrons jump between energy levels, atoms vibrate, and chemical bonds shift—all within millionths of a ...

Harvard researchers bring the accuracy, sample efficiency, and robustness of deep equivariant neural networks to the simulate 44 million atoms. This is achieved through a combination of innovative ...

When a molecule absorbs light, it undergoes a whirlwind of quantum-mechanical transformations. Electrons jump between energy levels, atoms vibrate, and chemical bonds shift—all within millionths of a ...