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

[신간의 별자리x] 우리/미술, 그리고 ‘슬픔의 박물관’

Black TiO2 Nanomaterials for Lithium–Sulfur Batteries

Voltage and Temperature Limits of Advanced Electrolytes for Lithium-Metal Batteries

Coupling Li‐rich Mn‐based oxide (LRMO) cathodes with lithium metal anodes is crucial to enabl high‐energy batteries. However, capacity decline of LRMO caused generally by unexpected parasitic reactions needs to be solved. Herein, an anion synergistic strategy is developed to manipulate the solvation structure to boost the electrochemical performance of high‐voltage lithium batteries. Multi‐salt electrolytes containing TFSI−, DFOB−, and DFBOP− anions are formulated via facilitating a distinctive aggregate, Li+‐(DFBOP−)0.10(DFOB−)0.49(TFSI−)0.51EC0.63EMC2.49DEC0.77, which can reduce the penetration of other anions into the first solvation sheath and strengthen the interaction between Li+ ions and solvent molecules simultaneously. The solvation structure is studied by molecular dynamics (MD) and its feature is found to be able to enhance the transport kinetics of Li+ effectively and favor the formation of an inorganic‐rich interphase. Corrosion of the Al collector is retarded effectively by a cathode−electrolyte interphase (CEI) constructed by the decomposition of DFBOP−, thereby enhancing the cyclability. In addition, Li||LRMO cell can retain its 85% initial capacity after 650 cycles at 1 C. This study provides a guideline to formulate high‐voltage electrolytes with excellent kinetics by regulating the microstructures of solvation and interphases via anion formulation engineering.

Exceptional Li‐Rich Mn‐Based Cathodes Enabled by Robust Interphase and Modulated Solvation Microstructures Via Anion Synergistic Strategy

A battery includes: 1) an anode; 2) a cathode; 3) a separator disposed between the anode and the cathode, wherein the separator includes at least one functional layer; and 4) a sensor connected to the at least one functional layer to monitor an internal state of the battery.

Improving rechargeable battery safety by multifunctional separators and electrodes

A stretchable electrode includes: a current collector; and, disposed on a surface of the current collector, a metal layer or an electrode active material layer, wherein the current collector includes a spiral-type coil spring and an elastic polymer, the spiral-type coil spring including a coil spring wound in a spiral pattern around a point, and wherein the elastic polymer is disposed in at least a portion of an inside of the coil spring, in at least a portion of a space between spiral coils of the spiral-type coil spring, or both.

Yi Cui

Papers

Black TiO2 Nanomaterials for Lithium–Sulfur Batteries

Voltage and Temperature Limits of Advanced Electrolytes for Lithium-Metal Batteries

Exceptional Li‐Rich Mn‐Based Cathodes Enabled by Robust Interphase and Modulated Solvation Microstructures Via Anion Synergistic Strategy

Improving rechargeable battery safety by multifunctional separators and electrodes

Stretchable electrode, electrochemical device including the same, and method of manufacturing the stretchable electrode