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 ...

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 ...

Most researchers have never seen a quantum computer. Winfried Hensinger has five. “They’re all terrible,” he says. “They can’t do anything useful.” In fact, all quantum computers could be described as ...

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 ...

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 ...

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 ...

SO-QFT simulation of 2D hydrogenic electron. (A) Real projections of the ground ψ0,0 state (left) and a first excited ψ1,1 state (right) of 2D hydrogen. Note that the plots here do not reflect the ...

Battelle has won a $9.8 million indefinite-delivery/indefinite-quantity contract from the U.S. Air Force to support computational and experimental chemistry and ...

The "Raj" high-performance computer cluster at Marquette University. Photo courtesy of Marquette University. Subscribe to BizTimes Daily – Local news about the people, companies and issues that impact ...