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

Electrochemical capacitors, also called supercapacitors, store energy using either ion adsorption (electrochemical double layer capacitors) or fast surface redox reactions (pseudo-capacitors). They can complement or replace batteries in electrical energy storage and harvesting applications, when high power delivery or uptake is needed. A notable improvement in performance has been achieved through recent advances in understanding charge storage mechanisms and the development of advanced nanostructured materials. The discovery that ion desolvation occurs in pores smaller than the solvated ions has led to higher capacitance for electrochemical double layer capacitors using carbon electrodes with subnanometre pores, and opened the door to designing high-energy density devices using a variety of electrolytes. Combination of pseudo-capacitive nanomaterials, including oxides, nitrides and polymers, with the latest generation of nanostructured lithium electrodes has brought the energy density of electrochemical capacitors closer to that of batteries. The use of carbon nanotubes has further advanced micro-electrochemical capacitors, enabling flexible and adaptable devices to be made. Mathematical modelling and simulation will be the key to success in designing tomorrow's high-energy and high-power devices.

https://hal.archives-ouvertes.fr/hal-02417326/document

Materials for electrochemical capacitors

Affordable combustion synthesis of V2AlC precursor for V2CTx MXene

Synaptic devices with linear high-speed switching can accelerate learning in artificial neural networks (ANNs) embodied in hardware. Conventional resistive memories however suffer from high write noise and asymmetric conductance tuning, preventing parallel programming of ANN arrays as needed to surpass conventional computing efficiency. Electrochemical random-access memories (ECRAMs), where resistive switching occurs by ion insertion into a redox-active channel address these challenges due to their linear switching and low noise. ECRAMs using two-dimensional (2D) materials and metal oxides suffer from slow ion kinetics, whereas organic ECRAMs enable high-speed operation but face significant challenges towards on-chip integration due to poor temperature stability of polymers. Here, we demonstrate ECRAMs using 2D titanium carbide (Ti3C2Tx) MXene that combines the high speed of organics and the integration compatibility of inorganic materials in a single high-performance device. Our ECRAMs combine the speed, linearity, write noise, switching energy and endurance metrics essential for parallel acceleration of ANNs, and importantly, they are stable after heat treatment needed for back-end-of-line integration with Si electronics. The high speed and performance of these ECRAMs introduces MXenes, a large family of 2D carbides and nitrides with more than 30 compositions synthesized to date, as very promising candidates for devices operating at the nexus of electrochemistry and electronics.

High-speed ionic synaptic memory based on two-dimensional titanium carbide MXene

In-Situ Atomic Force Microscopy Studies of Ti3C2: A Promising New Material for Electrochemical Capacitors

Electrolytic capacitors and batteries are the largest components in portable electronics. Can they be replaced by fully integrated devices capable of performing functions ranging from energy storage to AC line-filtering and providing power pulses for communication? Wearable, flexible, transparent and epidermal electronics, micro-robots, and Internet of Things devices, will all require compact energy storage solutions. Monolithic, on-chip integrated MXene micro-supercapacitors (MSCs) free of separators and electric wires may offer a solution. More than a decade ago, carbon-based on-chip MSCs demonstrated their ability to operate at very high rates and harvest/deliver energy in milliseconds [1–3]. However, several barriers stood in their path. They had a fairly low energy density due to the doublelayer charge storage mechanism, their internal resistance limited the number of devices that could be connected in series, and depositing electrolytes precisely on densely-packed MSCs while ensuring electrochemical isolation was a major challenge. In addition, electrochemical

Monolithic integrated MXene supercapacitors may power future electronics

2D metal carbides and nitrides (MXene) are promising material platforms for on‐chip neural networks owing to their nonlinear saturable absorption effect. The localized surface plasmon resonances in metallic MXene nanoflakes may play an important role in enhancing the electromagnetic absorption; however, their contribution is not determined due to the lack of a precise understanding of its localized surface plasmon behavior. Here, a saturable absorber made of MXene thin film and a silicon waveguide with MXene flakes overlayer are developed to perform neuromorphic tasks. The proposed configurations are reconfigurable and can therefore be adjusted for various applications without the need to modify the physical structure of the proposed MXene‐based activator configurations via tuning the wavelength of operation. The capability and feasibility of the obtained results of machine‐learning applications are confirmed via handwritten digit classification task, with near 99% accuracy. These findings can guide the design of advanced ultrathin saturable absorption materials on a chip for a broad range of applications.

https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/adma.202210216

Yury Gogotsi

Papers

Affordable combustion synthesis of V2AlC precursor for V2CTx MXene

High-speed ionic synaptic memory based on two-dimensional titanium carbide MXene

In-Situ Atomic Force Microscopy Studies of Ti3C2: A Promising New Material for Electrochemical Capacitors

Monolithic integrated MXene supercapacitors may power future electronics

MXene‐Nanoflakes‐Enabled All‐Optical Nonlinear Activation Function for On‐Chip Photonic Deep Neural Networks