There is, I think, something ethereal about i —the square root of minus one. I remember first hearing about it at school. It seemed an odd beast at that time—an intruder hovering on the edge of reality.

Usually familiarity dulls this sense of the bizarre, but in the case of i it was the reverse: over the years the sense of its surreal nature intensified. It seemed that it was impossible to write mathematics that described the real world in …

I and i

Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

다중혈관 관상동맥 환자에서 y-문합을 이용하여 양쪽 내흉동맥만을 사용한 우회술의 조기 성적

https://www.chem.ccu.edu.tw/~joyce/referance/gump/IL/Chem.%20Rev.%201999,%2099,%202071.pdf

Room-Temperature Ionic Liquids. Solvents for Synthesis and Catalysis

Dye-sensitized solar cells (DSCs) offer the possibilities to design solar cells with a large flexibility in shape, color, and transparency. DSC research groups have been established around the worl ...

/pdf/dye-sensitized-solar-cells-50b0w2bhsr.pdf

Dye-Sensitized Solar Cells

https://lirias.kuleuven.be/bitstream/123456789/410231/1/BinnemansKrutyn2013Lecture1abstract.pdf

Interpretation of europium spectra

Oxidation of UO2 has been intensively studied since many decades. A lot of work focused on low temperature oxidation (< 400 °C) related to long term dry storage of spent nuclear fuel. Interpretation was based mainly on conventional X-ray techniques and more recently, synchrotron X-ray and neutron diffraction have contributed to the understanding of the complex reaction mechanisms. Similar electron diffraction studies remain scarce.

https://lirias.kuleuven.be/bitstream/123456789/512326/1/Leinders_Abstract_ICfE.pdf

Low temperature oxidation of uranium dioxide: an X-ray and electron diffraction study

The title compound, [CdCl2(C6H7N3O)2], was obtained unintentionally as a product of an attempted reaction of CdCl2·2.5H2O and picolinic acid hydrazide, in order to obtain a cadmium(II) complex analogous to a 15-metallacrown-5 complex of the formula [MCu5L5]Xn, with M = a central metal ion, L = picolinic acid hydrazide and X = Cl−, but with cadmium the only metal present. The coordination geometry around the CdII atom can be considered as distorted octa­hedral, with two bidentate picolinic acid hydrazide ligands, each coordinating through their carbonyl O atom and amino N atom, and two chloride anions. In the crystal structure, inter­molecular N—H⋯Cl and N—H⋯N hydrogen bonds link the mol­ecules into a two-dimensional network parallel to the (100) plane. The pyridine rings of adjacent networks are involved in π–π stacking inter­actions, the minimum distance between the ring centroids being 3.693 (2) A.

https://biblio.ugent.be/publication/2045870/file/2079823.pdf

Dichloridobis(picolinohydrazide)cadmium(II)

https://lirias.kuleuven.be/bitstream/123456789/31163/1/115LnC6OBenzoate.pdf

Mesomorphism of Lanthanide(III) 4-Hexyloxybenzoates

https://lirias.kuleuven.be/bitstream/123456789/237235/1/BinnemansKoeln2002.pdf

Lanthanide-containing metallomesogens

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