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

抗原变异可使得多种致病微生物易于逃避宿主免疫应答。表达在感染红细胞表面的恶性疟原虫红细胞表面蛋白1（PfPMP1）与感染红细胞、内皮细胞、树突状细胞以及胎盘的单个或多个受体作用，在黏附及免疫逃避中起关键的作用。每个单倍体基因组var基因家族编码约60种成员，通过启动转录不同的var基因变异体为抗原变异提供了分子基础。

疟原虫var基因转换速率变化导致抗原变异[英]／Paul H, Robert P, Christodoulou Z, et al//Proc Natl Acad Sci U S A

Approaches, Derivatives and Applications Vasilios Georgakilas,† Michal Otyepka,‡ Athanasios B. Bourlinos,‡ Vimlesh Chandra, Namdong Kim, K. Christian Kemp, Pavel Hobza,‡,§,⊥ Radek Zboril,*,‡ and Kwang S. Kim* †Institute of Materials Science, NCSR “Demokritos”, Ag. Paraskevi Attikis, 15310 Athens, Greece ‡Regional Centre of Advanced Technologies and Materials, Department of Physical Chemistry, Faculty of Science, Palacky University Olomouc, 17. listopadu 12, 771 46 Olomouc, Czech Republic Center for Superfunctional Materials, Department of Chemistry, Pohang University of Science and Technology, San 31, Hyojadong, Namgu, Pohang 790-784, Korea Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, v.v.i., Flemingovo naḿ. 2, 166 10 Prague 6, Czech Republic

Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications

Tuning of carrier type, enhancement of Linear magnetoresistance and inducing ferromagnetism at room temperature with Cu doping in Bi2Te3 Topological Insulators

Using advanced electron microscopy, we demonstrate the presence of Ti2+ on the {001} surfaces of heavily reduced strontium titanate nanocubes. While high-angle annular dark field images show a clear difference between the surfaces of the unreduced and reduced samples, electron energy loss spectroscopy detects the presence of Ti2+ on the surface of the reduced cubes. Conventional reduction only leads to the formation of Ti3+ and involves the use of high temperatures. Reduction is achieved at relatively lower temperatures in the solid state using sodium borohydride as the reducing agent. Coupled with first principles calculations, our findings provide insights into the optical properties of the samples and provide a convenient method to produce highly reduced surfaces that could demonstrate a range of exotic physical phenomena.

/pdf/existence-of-ti2-states-on-the-surface-of-heavily-reduced-2327ct1ck7.pdf

Existence of Ti2+ States on the Surface of Heavily Reduced SrTiO3 Nanocubes

Greenhouse environment, used to grow plants under controlled climatic conditions for efficient production, forms an important part of the agriculture and horticulture sectors. Subsequently, environment monitoring system (EMS) has become a necessity of a green house plant for optimum growth, efficient water usage, improved yields, and better utilization of the resources. Many researchers have been making attempts to develop the green house EMS. The existing EMSs are bulky, very costly, difficult to maintain and less appreciated by the technologically less skilled work-force. In the present work an attempt has been made to devise a DSP processor based EMS to real time monitor the climatic parameters which, directly or indirectly, have a vital say in the growth of the greenhouse plant. The developed system is simple, cost effective, and easily installable. The parameters which are being real time monitor and recorded (for further analysis and usage) are temperature, humidity, soil moisture contents, illumination and CO2 concentration.

/pdf/prototype-greenhouse-environment-monitoring-system-1seer8o647.pdf

Abhishek K. Singh

Papers

Tuning of carrier type, enhancement of Linear magnetoresistance and inducing ferromagnetism at room temperature with Cu doping in Bi2Te3 Topological Insulators

Existence of Ti2+ States on the Surface of Heavily Reduced SrTiO3 Nanocubes

Prototype Greenhouse Environment Monitoring System

A moving boundary problem with variable specific heat and thermal conductivity

Rational Design of Single-Atom Catalysts for Enhanced Electrocatalytic Nitrogen Reduction Reaction