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

On the intractability of preemptive single-machine job scheduling with release times, deadlines, and family setup times

The Coronavirus 2019 (Covid-19) pandemic caused by the SARS-CoV-2 virus represents an unprecedented crisis for our planet. It is a bane of the uber connected world that we live in that this virus has affected almost all countries and caused mortality and economic upheaval at a scale whose effects are going to be felt for generations to come. While we can all be buoyed at the pace at which vaccines have been developed and brought to market, there are still challenges ahead for all countries to get their populations vaccinated equitably and effectively. This paper provides an overview of ongoing immunization efforts in various countries. In this early draft, we have identified a few key factors that we use to review different countries' current COVID-19 immunization strategies and their strengths and draw conclusions so that policymakers worldwide can learn from them. Our paper focuses on processes related to vaccine approval, allocation and prioritization, distribution strategies, population to vaccine ratio, vaccination governance, accessibility and use of digital solutions, and government policies. The statistics and numbers are dated as per the draft date [June 24th, 2021].

Vaccination Worldwide: Strategies, Distribution and Challenges

On the exchange property for the wavelet transform

Tuning defect levels in 2D semiconductors without significantly altering the integrity of the materials remains one of the most difficult challenges, which critically restricts their usage in electronic and optoelectronic devices. In this study, we demonstrate that the deep levels created by a cation vacancy in a monolayer of MoS₂ can be tuned to a shallow level by heterostructuring it with a monolayer of WS₂, while maintaining their structural and compositional integrity intact. The overall change in dielectric constant rescales the defect transition levels in a heterostructure. As a result, the deep defect levels are shallowed by nearly 4 (VMₒ–¹) and 2 (VW–¹) times, respectively, compared to their monolayer counterparts. Our finding has the potential to revolutionize the doping strategy of the 2D materials and could pave the way for 2D electronics.

Abhishek K. Singh

Papers

On the intractability of preemptive single-machine job scheduling with release times, deadlines, and family setup times

Vaccination Worldwide: Strategies, Distribution and Challenges

On the exchange property for the wavelet transform

Engineering Defect Transition-Levels through the van der Waals Heterostructure C

Effect of Different Concentrate Level Supplementation on the Periparturient Growth Performance of Grazing Does and Their Kids in Extensive System