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

Clinical course and risk factors for mortality of adult inpatients with COVID-19 in Wuhan, China: a retrospective cohort study.

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

Novel indole α-methylene-γ-lactones as potent inhibitors for AKT-mTOR signaling pathway kinases

Preparation and characterization of CuxO1-y@ZnO1-α nanocomposites for enhanced room-temperature NO2 sensing applications

In this letter, we propose a mechanism which may cause a strong absorption of terahertz (THz) electromagnetic radiation in AlGaAs/GaAs‐based two‐dimensional semiconductor systems. In such systems, the rate of electronic transitions via hot electrons interacting with impurities and phonons is on the scale of 1012 s−1 so that the THz radiation will modify strongly the processes of electron momentum and energy relaxation and, consequently, a resonant absorption of the THz electromagnetic wave may occur. We find that in these sample systems, the absorption of the electromagnetic radiation at different frequencies can be tuned by heating the electrons to different temperatures. Our results can be used for understanding and interpreting the experimental results reported very recently.

Resonant absorption of terahertz electromagnetic waves by heated electrons in AlGaAs/GaAs heterostructures

Hyaluronic acid (HA) is made up of repeating disaccharide units (β-1,4-d-glucuronic acid and β-1,3-N-acetyl-d-glucosamine) and is a major constituent of the extracellular matrix. HA and its derivatives which possess excellent biocompatibility and physiochemical properties have been studied in drug delivery and tissue engineering applications. Tyramine-based HA hydrogel with good compatibility to cell and tissue has been reported recently. However, inferior mechanical property may limit the biomedical application of the HA hydrogel. In this study, HA/graphene oxide (GO) nanocomposite (NC) hydrogel was prepared through a horseradish peroxidase catalyzed in situ cross-linking process. As compared with pure HA hydrogels, incorporation of GO to the HA matrix could significantly enhance the mechanical properties (storage moduli 1800 Pa) of the hydrogel and prolong the release of rhodamine B (RB) as the model drug from the hydrogel (33 h) as well. In addition, due to the multiple interactions between GO and RB, the NC hydrogels showed excellent pH-responsive release behavior. The release of RB from the NC hydrogel was prolonged at low pH (pH 4.0) in the presence of GO, which could be attributed to the enhanced interactions between GO and HA as well as with RB. In situ three-dimensional encapsulation of mouse embryonic fibroblasts (BALB 3T3 cells) in the NC hydrogels and cytotoxicity results indicated the cytocompatibility of both the enzymatic cross-linking process and HA/GO NC hydrogels (cell viability 90.6 ± 4.25%). The enzymatically catalyzed fabrication of NC hydrogels proved to be an easy and mild approach, and had great potential in the construction of both tissue engineering scaffolds and stimuli-responsive drug release matrices.

Enzymatically cross-linked hyaluronic acid/graphene oxide nanocomposite hydrogel with pH-responsive release.

We report that for graphene with a finite band gap (such as semihydrogenated graphene or graphene with spin-orbit coupling), there exists a strong nonlinear optical response for energies lower than the band gap where the linear response is forbidden. At low temperatures, the nonlinear current in graphene with a gap is much stronger than that in gapless graphene. Our result suggests that semihydrogenated graphene can have a unique potential as a two-color nonlinear material in the terahertz frequency region. The relative intensity of the two colors can be tuned with the electric field.

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Chao Zhang

Papers

Novel indole α-methylene-γ-lactones as potent inhibitors for AKT-mTOR signaling pathway kinases

Preparation and characterization of CuxO1-y@ZnO1-α nanocomposites for enhanced room-temperature NO2 sensing applications

Resonant absorption of terahertz electromagnetic waves by heated electrons in AlGaAs/GaAs heterostructures

Enzymatically cross-linked hyaluronic acid/graphene oxide nanocomposite hydrogel with pH-responsive release.

Subgap optical conductivity in semihydrogenated graphene