Search results for theoretical chemistry

Analytical Chemistry Apr 8, 2024

New statistical-modeling workflow may help advance drug discovery and synthetic chemistry

A new automated workflow developed by scientists at Lawrence Berkeley National Laboratory (Berkeley Lab) has the potential to allow researchers to analyze the products of their reaction experiments in real time, a key capability ...

Analytical Chemistry Apr 4, 2024

Computational chemistry needs to be sustainable too, say researchers

A diverse group of computational chemists is encouraging the research community to embrace a sustainable software ecosystem. That's the message behind a perspective article published in the Journal of Chemical Theory and ...

Nanomaterials Apr 3, 2024

'Neutronic molecules': Study shows neutrons can bind to quantum dots

Neutrons are subatomic particles that have no electric charge, unlike protons and electrons. That means that while the electromagnetic force is responsible for most of the interactions between radiation and materials, neutrons ...

Analytical Chemistry Mar 26, 2024

Geometry-adaptive electrocatalysis: Proposed approach could double efficiency of energy conversion technologies

As the world seeks sustainable solutions to meet escalating energy demands, a collaborative team of researchers from the Universities of Tartu and Copenhagen has proposed an innovative approach to overcome long-standing limitations ...

Biotechnology Mar 25, 2024

A microalgae–material hybrid promotes carbon neutrality

Microalgae, including cyanobacteria and green algae, represent the most important biological systems for producing biomass and high-value products. It is estimated that microalgae can fix about 90 billion tons of carbon dioxide ...

Quantum Physics Mar 25, 2024

Scientists deliver quantum algorithm to develop new materials and chemistry

U.S. Naval Research Laboratory (NRL) scientists have published the Cascaded Variational Quantum Eigensolver (CVQE) algorithm in a recent Physical Review Research article. The algorithm is expected to become a powerful tool ...

Analytical Chemistry Mar 20, 2024

New model clarifies why water freezes at a range of temperatures

From abstract-looking cloud formations to roars of snow machines on ski slopes, the transformation of liquid water into solid ice touches many facets of life. Water's freezing point is generally accepted to be 32 degrees ...

General Physics Mar 19, 2024

Pushing the limit of the periodic table with superheavy elements

Scientists from Massey University in New Zealand, the University of Mainz in Germany, Sorbonne University in France, and the Facility for Rare Isotope Beams (FRIB) discuss the limit of the periodic table and revising the ...

Analytical Chemistry Mar 19, 2024

Regulating atomic Fe-Rh site distance for efficient oxygen reduction reaction

In a study published in the journal Science China Chemistry, the authors systematically design and investigate the site-distance effect of Fe-Rh atom catalysts (Fe-Rhx@NC) supported by N-doped graphene for ORR by an integrated ...

Analytical Chemistry Mar 18, 2024

Supercomputer simulations of super-diamond suggest a path to its creation

Diamond is the strongest material known. However, another form of carbon has been predicted to be even tougher than diamond. The challenge is how to create it on Earth.

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