Chemistry Quantum chemistry

News

creating a single molecule transistor (SMT) by mounting a single water molecule in a C60 cage between two gold electrodes.
06 Jan 2022
A collaborative team led by researchers from Institute of Industrial Science, The University of Tokyo uses a single water molecule in a C60 cage to probe quantum mechanics
26 Nov 2021
In a continuing effort to improve upon previous work, a research team at the Graduate School of Science, Osaka City University, have applied their recently developed Bayesian phase difference estimation quantum algorithm to perform full configuration interaction (full-CI) calculations of atoms and molecules without simulating the time evolution of the wave function conditional on an ancillary qubit. Superior to conventional methods in terms of parallel execution of quantum gates during quantum computing, this new algorithm is expected to be much easier to implement in actual quantum computers.
02 Sep 2021
Researchers have developed a general quantum algorithm that can directly calculate the energy difference of an atom and molecule using a quantum computer. By avoiding the need to calculate the total molecular energies, the general algorithm is expected to be applied not only to quantum chemical calculations but also to various physical and mathematical problems, which are intractable with nowadays classical computers.
25 Jun 2021
Perovskite colloidal quantum dots (Pe-CQDs) are highly promising nanocrystals for optoelectronic applications. However, the size of the crystals should ideally be equal to ensure a consistent energy landscape. In a recent study, scientists clarified the relationship between differences in particle size—polydispersity—and the optoelectronic characteristics of Pe-CQDs. They showed that using equally sized, or ‘monodisperse,’ quantum dots results in markedly better performance in Pe-CQD solar cells, paving the way for future optoelectronic devices.
18 Jan 2021
Researchers at Osaka City University use quantum superposition states and Bayesian inference to create a quantum algorithm, easily executable on quantum computers, that accurately and directly calculates energy differences between the electronic ground and excited spin states of molecular systems in polynomial time.
23 Dec 2020
Osaka City University scientists have developed mathematical formulas to describe the current and fluctuations of strongly correlated electrons in quantum dots. Their theoretical predictions could soon be tested experimentally.
The cathode is designed to facilitate the uptake and release of oxygen, processes that are needed for discharging and charging a lithium-air battery.
09 Jan 2020
A low-cost catalyst on a sulphur-doped, porous, carbon nanostructure improves the performance of lithium batteries that run on air.
GQDs, Pt nanoparticles, UNIST, Hyeon Suk Shin
26 Aug 2019
A recent study, affiliated with South Korea's Ulsan National Institute of Science and Technology (UNIST) has introduced a novel technology, capable of fabricating highly ordered arrays of graphene quantum dot (GQD). This research has gained much attention from academia since it was introduced in the February 2019 issue of Nature Nanotechnology.

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