Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

A qubit is the delicate, information-processing heart of a quantum device. In the coming decades, advances in quantum information are expected to give us computers with new, powerful capabilities and ...

Understanding drug resistance is crucial. Quantum modeling offers insights into molecular interactions, enhancing drug ...

Computational modeling and simulation of nanomaterials strongly complement physical experiments. They enable the prediction of characteristics and processes under conditions difficult to replicate or ...

Computer chips are a hot commodity. Nvidia is now one of the most valuable companies in the world, and the Taiwanese manufacturer of Nvidia's chips, TSMC, has been called a geopolitical force. It ...

In human cells, there are about 20,000 genes on a two-meter DNA strand—finely coiled up in a nucleus about 10 micrometers in diameter. By comparison, this corresponds to a 40-kilometer thread packed ...

For much of my career, I have been fascinated by the ways in which materials behave when we reduce their dimensions to the nanoscale. Over and over, I've learned that when we shrink a material down to ...

Researchers at KAIST have developed a DNA-based molecular computer that integrates computation and memory at scales below 2 nanometers, surpassing limits of traditional semiconductors. Unlike previous ...

Researchers from Google DeepMind, BIFOLD, and TU Berlin have unveiled AI models that simulate molecular behavior without hard-coded physical laws, achieving competitive results through massive ...

A University of Idaho research team is pioneering the use of computer molecular modeling to develop new agricultural fungicides, including some that will attack crop pathogens in novel ways. The ...