Japanese researchers performed computation of reaction kinetic information from first-principles calculations based on quantum mechanics, and developed methods and programs to carry out kinetic simulations without using experimental ...
Analytical Chemistry
Mar 4, 2021
0
5
Quantum computing and quantum information processing technology have attracted attention in recently emerging fields. Among many important and fundamental issues in science, solving the Schroedinger equation (SE) of atoms ...
Quantum Physics
Jan 2, 2019
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983
aluminum alloys have unique material properties and are indispensable materials in aircraft manufacturing and space technology. With the help of high-resolution electron tomography, researchers at TU Graz have for the first ...
Nanomaterials
Nov 14, 2018
0
16
Penicillin-based antibiotics contain a five-membered hydrocarbon cycle, additionally incorporating a sulfur and a nitrogen atom. Nadine Zumbrägel, doctoral student at the Chair of Organic Chemistry I at Bielefeld University, ...
Materials Science
May 16, 2018
0
5
With the help of ultrafast spectroscopy and quantum mechanical calculations, Ludwig-Maximilians-Universitaet (LMU) in Munich researchers have characterized the complete rotational cycle of the light-driven, chemical motor ...
Materials Science
Apr 20, 2018
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10
Solar cells can't stand the heat. Photovoltaics lose some energy as heat in converting sunlight to electricity. The reverse holds true for lights made with light-emitting diodes (LED), which convert electricity into light. ...
Materials Science
Feb 6, 2018
0
28
Chemists from Ural Federal University (UrFU, Ekaterinburg) have suggested a new technique for synthesizing thiophene derivatives and studied their fluorescent properties experimentally as well as theoretically. Many organic ...
Materials Science
Nov 14, 2017
0
4
An international, interdisciplinary research team of scientists has come up with a machine-learning method that predicts molecular behavior, a breakthrough that can aid in the development of pharmaceuticals and the design ...
Computer Sciences
Oct 11, 2017
0
970
A team of researchers from MIPT, Skoltech, and Dukhov Research Institute of Automatics, led by Artem Oganov, used a machine learning technique to model the behavior of aluminum and uranium in the liquid and crystalline phases ...
Materials Science
Oct 3, 2017
0
12
Virginia Commonwealth University researchers have achieved a feat that is a first in the fields of physics and chemistry—one that could have wide-ranging applications.
Materials Science
Sep 18, 2017
1
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