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 ...

A new software tool promises to aid scientists whose research has forced them to lead double lives -- as computer programmers. The tool, called the Tensor Contraction Engine (TCE), automatically ...

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: ...

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 ...

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 ...

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 ...

Researchers at Chalmers University in Sweden have used a quantum computer to simulate a chemical reaction. Quantum chemistry is often modelled using supercomputers, which apply the laws of quantum ...

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 ...

Katherine Hicks, a SUNY Cortland associate professor of chemistry, spent the summer doing groundbreaking work with 12 students from across the U.S. She’s only met one of them in person. And neither ...