Speaker: A. Baby (U. of Milano-Bicocca)
MaX Conference on the Materials Design Ecosystem at the Exascale: High-Performance and High-Throughput Computing | (smr 3161)
2018_01_30-11_20-smr3161

量子化学計算、第一原理計算、分子動力学計算を効率的に操作できるGUIソフトウェア。

Quantum mechanics, which rules the world of the teensy-tiny, may help explain why genetic mutations spontaneously crop up in DNA as it makes copies of itself, a recent study suggests.

A team of U.S. physicists has created a new isotope of fluorine, fluorine-13 (13F), via a charge-exchange reaction between a beam of oxygen-13 (13O) and a beryllium-9 (9Be) target.

One of the most important classes of problems that all scientists and mathematicians aspire to solve, due to their relevance in both science and real life, are optimization problems. From esoteric computer ...

Skoltech chemists have proposed a new electronegativity scale and published their findings in Nature Communications. The concept of electronegativity introduced by Linus Pauling, a great American chemist, in the 1930s refers to the ability of an atom to attract…

RXNmapper constructs coherent atom-mapping rules from raw chemical reactions using unsupervised training of neural networks.

Two teams of researchers have independently found that there exists a certain type of graphene system where electrons freeze as the temperature rises. The first team, with members from Israel, the U.S. ...

Analogue to graphane could be used in batteries and quantum computers

An engineer channels Galileo to describe a new approach to computing: p-bits

Uranium (II) systems shown to effect reduction of azobenzene to yield a bis(imido) uranium (VI) complex

Creating a two-dimensional material, just a few atoms thick, is often an arduous process requiring sophisticated equipment. So scientists were surprised to see 2D puddles emerge inside a three-dimensional ...

Novel lightweight materials have magnetic ordering temperatures and coercivities comparable to commercially available inorganic magnets