There are high expectations that quantum computers may deliver revolutionary new possibilities for simulating chemical processes. This could have a major impact on everything from the development of ...

Understanding the chemical properties of a molecule is an inherently quantum problem, making quantum computers a good tool ...

Twisting a tinkertoy-like model of red and blue sticks and spheres, professor Dan Stack attempted to demystify organic chemistry. “This is a dibromobutane molecule,” Stack said, as he showed the class ...

STANFORD — When he conceived his prestigious prizes in 1895, Alfred Nobel never imagined the need to honor an unknown field called computer science. But the next best thing happened on Wednesday: ...

Duke University biochemists aided by Duke computer scientists and computational chemists have identified the likely way two key enzymes dock in an intricate three-dimensional puzzle-fit to regulate ...

There are high expectations that quantum computers may deliver revolutionary new possibilities for simulating chemical processes. This could have a major impact on everything from the development of ...

Computers may one day be able to simulate exactly how enzymes, ion channels, viruses, DNA and other complex biological molecules react with each other inside a cell. And if such a software package is ...

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 ...

Despite neat formulas and equations in textbooks, chemistry is still an inexact science. At best, scientists only partly understand some of the turbulent processes that occur during chemical reactions ...