A milestone report from the University of Kansas appearing this week in the Proceedings of the National Academy of Sciences proposes a new technique for modeling molecular life with computers.

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 ...

Researchers have made a meaningful advance in the simulation of molecular electron transfer -- a fundamental process underpinning countless physical, chemical and biological processes. The study ...

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 ...

High-intensity focused ultrasound (HIFU) is a breakthrough therapeutic technique used to treat tumors. The principle of this noninvasive, targeted treatment is much like that of focusing sunlight ...

Theory and understanding underpin a great deal of experimentation and engineering. Working together experimentalists can be guided by theoretical predictions and theoreticians can refine their models ...

Science is a subject built on doing. Students learn chemistry through titrations, biology through dissections, physics through motion experiments, and earth science through field observations. That ...

Chemistry World provides expert, independent science journalism for the global chemical science community. We are part of the ...

2026 will be a transformative year in this area — one where force fields redefine the boundaries of atomistic simulation, making previously unthinkable modeling and discoveries routine. With workflows ...