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

Chitosan	   is	   one	   of	   the	   most	   interesting	   biosorbents,	   due	   to	   its	   high	   adsorption capacity,	   selectivity	   for	   certain	   metal	   ions	   and	   easy	   functionalisation.	   By incorporating	  chitosan	   in	  an	   inorganic	   silica	  matrix,	  a	  more	   rigid	  and	  porous	  hybrid material	  results,	  thus	  mitigating	  the	  shortcomings	  of	  pure	  chitosan.	  In	  the	  separation of	   valuable	   scandium	   from	   bauxite	   residue	   the	   highest	   challenge	   arises	   from	   the similar	   chemical	   behaviour	   between	   scandium(III)	   and	   iron(III).	   This	   hampers	   high selectivity	   for	   scandium,	   especially	   because	   iron,	   as	   one	   of	   the	   major	   elements	   in bauxite	   residue,	   is	   present	   in	  much	   higher	   concentrations	   than	   scandium.	   After	   an acidic,	   pre-­‐selective	   leaching	   step	   for	   the	   dissolution	   of	   scandium,	   adsorption	   by DTPA-­‐	  or	  EGTA-­‐functionalised	  chitosan	  was	  found	  to	  be	  very	  useful	   for	  the	  effective separation	  of	  scandium	  from	  the	  other	  elements	  dissolved	  in	  the	  leachate.

Separation of scandium from leachates of Greek bauxite residue by adsorption with functionalised chitosan-silica hybrid materials

Anisotropic Molecular Magnetic Materials Based on Liquid‐Crystalline Lanthanoid Complexes.

The halide derivatives of yttrium ortho-oxomolybdate YX[MoO 4] (X = F, Cl) both crystallize in the monoclinic system with four formula units per unit cell. YF[MoO 4] exhibits a primitive cell setting (space group P21/ c; a = 519.62(2) pm, b = 1225.14(7) pm, c = 663.30(3) pm, beta = 112.851(4) degrees ), whereas the lattice of YCl[MoO 4] shows face-centering (space group C2/m; a = 1019.02(5) pm, b = 720.67(4) pm, c = 681.50(3) pm, beta = 107.130(4) degrees ). The two compounds each contain crystallographically unique Y (3+) cations, which are found to have a coordination environment of six oxide and two halide anions. In the case of YF[MoO 4], the coordination environment is seen as square antiprisms, and for YCl[MoO 4], trigon-dodecahedra are found. The discrete tetrahedral [MoO 4] (2-) units of the fluoride derivative are exclusively bound by six terminal Y (3+) cations, while those of the chloride compound show a 5-fold coordination around the tetrahedra with one edge-bridging and four terminal Y (3+) cations. The halide anions in each compound exhibit a coordination number of two, building up isolated planar rhombus-shaped units according to [Y 2F 2] (4+) in YF[MoO 4] and [Y 2Cl 2] (4+) in YCl[MoO 4], respectively. Both compounds were synthesized at high temperatures using Y2O3, MoO3, and the corresponding yttrium trihalide in a molar ratio of 1:3:1. Single crystals of both are insensitive to moist air and are found to be coarse shaped and colorless with optical band gaps situated in the near UV around 3.78 eV for the fluoride and 3.82 eV for the chloride derivative. Furthermore, YF[MoO 4] seems to be a suitable material for doping to obtain luminescent materials because the Eu (3+)-doped compound shows an intense red luminescence, which has been spectroscopically investigated.

YF[MoO4] and YCl[MoO4]: Two Halide Derivatives of Yttrium ortho‐Oxomolybdate: Syntheses, Structures, and Luminescence Properties.

https://lirias.kuleuven.be/bitstream/123456789/503318/1/Roosen_ISGC_2015_Abstract.pdf

Chitosan-silica hybrid biomaterials for the recovery of rare earths from diluted waste streams

The Sustainable Inorganic Materials Management (SIM 2 ) Consortium at KU Leuven

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