The most demanding calculations in quantum chemistry can now be solved with graphics processing unit (GPU) supercomputers. A ...

A quantum algorithm capable of performing quantum circuits parallelism and full configuration interactions calculations in any open shell molecules without ...

Researchers are finding ways to speed up the pace of computational chemistry through cloud computing. (Illustration by Nathan Johnson / Pacific Northwest National Laboratory) A team led by researchers ...

Microwave spectroscopy, interfaced with quantum chemical calculations, has emerged as a pivotal technique for elucidating the detailed structural and dynamical properties of molecules. This ...

Sometimes a visually compelling metaphor is all you need to get an otherwise complicated idea across. In the summer of 2001, a Tulane physics professor named John P. Perdew came up with a banger. He ...

Computer simulations in chemistry are a powerful way of understanding and optimizing chemical processes. But as the size of the system under consideration grows, so does the computational complexity ...

A powerful quantum chemistry engine is now available that can help scientists tackle complex chemical problems. The new technology could drastically speed up research in drug discovery, materials ...

This assignment engages students in applying solubility rules and stoichiometric calculations to design a method for separating metal ions in solution. Students must justify their choice of ...

Doped lead apatite has been recently reported to feature superconductivity at room temperature and ambient pressure, which may have huge impact on the progress of the humanity in general. Bulgarian ...

A new quantum algorithm has been implemented for identifying important physical quantities such as spin quantum numbers relevant to convoluted electronic wave functions on quantum computers, serving ...

The OCU group said, "This is the first example of practical quantum algorithms, which make quantum chemical calculations realizable on quantum computers equipped with a sizable number of qubits. These ...